1,3-bis[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea
Molecular Formula : C19H18N4O4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |1,3-bis[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea is a drug-like molecule.
MolName : 1,3-bis[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]thiourea |
MolecularFormula : C19H18N4O4S |
Smiles : S=C(N/N=C\c(cc1)cc2c1OCCO2)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C19H18N4O4S/c28-19(22-20-11-13-1-3-15-17(9-13)26-7-5-24-15)23-21-12-14-2-4-16-18(10-14)27-8-6-25-16/h1-4,9-12H,5-8H2,(H2,22,23,28) |
InChIK : PCSXWLQNVIVWSN-UHFFFAOYSA-N |
TotalMolweight : 398.442 |
Molweight : 398.442 |
MonoisotopicMass : 398.104876 |
CLogP : 3.9443 |
CLogS : -5.278 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 306.21 |
Relative PSA : 0.3721 |
PolarSurfaceArea : 117.79 |
Druglikeness : -5.2701 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde; thio-amide/urea |
Shape Index : 0.67857 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 9 |
Symmetricatoms : 13 |
StereoCon : |