Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C18H16N3O3FS | Cheminformatics
Menu

[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea

Molecular Formula : C18H16N3O3FS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea is a drug-like molecule.

MolName : [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea

MolecularFormula : C18H16N3O3FS

Smiles : NC(N/N=C(/C1)\c(cc(cc2)F)c2OC1c(cc1)cc2c1OCCO2)=S

InChI : InChI=1S/C18H16FN3O3S/c19-11-2-4-14-12(8-11)13(21-22-18(20)26)9-16(25-14)10-1-3-15-17(7-10)24-6-5-23-15/h1-4,7-8,16H,5-6,9H2,(H3,20,22,26)/t16-/m1/s1

InChIK : PJMFWFQNKWVXOR-MRXNPFEDSA-N

TotalMolweight : 373.407

Molweight : 373.407

MonoisotopicMass : 373.08964

CLogP : 3.2115

CLogS : -4.982

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 271.81

Relative PSA : 0.35407

PolarSurfaceArea : 110.19

Druglikeness : -6.7024

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.5

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

StereoCon : racemate

Click to Load Molecule:
1 - [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea
2 - [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | [(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2,3-dihydrochromen-4-ylidene]amino]thiourea


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments