N-benzyl-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-benzyl-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
N-benzyl-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0027 |
| Compound Name: | N-benzyl-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C29 H21 N5 O3 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(c1)nc(n1c3ccccc3nc12)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1585 |
| logD: | 6.1576 |
| logSw: | -6.1321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.613 |
| InChI Key: | VUIXPLXUYVKLFE-UHFFFAOYSA-N |