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

C15H19N3S | Cheminformatics

(2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine

Molecular Formula : C15H19N3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine

MolecularFormula : C15H19N3S

Smiles : NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3CCSC1

InChI : InChI=1S/C15H19N3S/c16-12-9-19-8-7-18-6-5-11-10-3-1-2-4-13(10)17-14(11)15(12)18/h1-4,12,15,17H,5-9,16H2/t12?,15-/m1/s1

InChIK : KUVKPOJBDBBXFW-WPZCJLIBSA-N

TotalMolweight : 273.403

Molweight : 273.403

MonoisotopicMass : 273.129967

CLogP : 1.188

CLogS : -2.499

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 200.54

Relative PSA : 0.25082

PolarSurfaceArea : 70.35

Druglikeness : 3.5835

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.47368

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

StereoCenters : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 10

Amines : 2

AlkylAmines : 2

Aromatic Nitrogens : 1

BasicNitrogens : 2

StereoCon : unknown chirality

Request More Details | (2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine


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