N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-3085 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 615.75 |
| Molecular Formula: | C33 H37 N5 O5 S |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CCC(N2CCN(CC2)c2ccccc2)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3626 |
| logD: | 2.3625 |
| logSw: | -3.0832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.976 |
| InChI Key: | LAIFNTVNASDDJT-UHFFFAOYSA-N |