N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0182 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 621.72 |
| Molecular Formula: | C34 H31 N5 O5 S |
| Smiles: | COc1cccc(c1)NC(CSc1nc2cc(ccc2c2nc3ccccc3n12)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4254 |
| logD: | 5.425 |
| logSw: | -5.5545 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.027 |
| InChI Key: | LYLYMIBNLKTDGH-UHFFFAOYSA-N |