N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0181 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 679.8 |
| Molecular Formula: | C37 H37 N5 O6 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3cc(ccc3c3nc4ccccc4n23)C(NCCc2ccc(c(c2)OC)OC)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3321 |
| logD: | 4.3317 |
| logSw: | -4.426 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.908 |
| InChI Key: | ZGFFAXGOLWLJLD-UHFFFAOYSA-N |