N-[2-(3,4-dimethoxyphenyl)ethyl]-6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)benzimidazo[1,2-c]quinazoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0191 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C31 H33 N5 O5 S |
| Smiles: | COCCCNC(CSc1nc2cc(ccc2c2nc3ccccc3n12)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5738 |
| logD: | 3.5734 |
| logSw: | -3.9724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.261 |
| InChI Key: | DTOTZUPNKHGTOA-UHFFFAOYSA-N |