N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0195 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[(4-nitrophenyl)methyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 593.66 |
| Molecular Formula: | C32 H27 N5 O5 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)nc(n2c4ccccc4nc23)SCc2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.6091 |
| logD: | 5.6082 |
| logSw: | -5.6298 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.716 |
| InChI Key: | YQVUIQJQAXAJHN-UHFFFAOYSA-N |