N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-3-(1H-indol-3-yl)propanamide
Chemical Structure Depiction of
N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-3-(1H-indol-3-yl)propanamide
N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-3-(1H-indol-3-yl)propanamide
Compound characteristics
| Compound ID: | K284-2519 |
| Compound Name: | N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-3-(1H-indol-3-yl)propanamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C31 H31 N5 O5 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2NC(CCc2c[nH]c3ccccc23)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1781 |
| logD: | 2.1776 |
| logSw: | -2.8987 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.404 |
| InChI Key: | BXHJINWQZQKSBM-UHFFFAOYSA-N |