N-benzyl-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-benzyl-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
N-benzyl-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0013 |
| Compound Name: | N-benzyl-6-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 605.72 |
| Molecular Formula: | C34 H31 N5 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2nc3cc(ccc3c3nc4ccccc4n23)C(NCc2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8815 |
| logD: | 4.881 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.806 |
| InChI Key: | YKIWMTNMZCWGGF-UHFFFAOYSA-N |