N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1617 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N(CCCN4CCCC4=O)C(Nc3c2)=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.332 |
| logD: | 1.3293 |
| logSw: | -2.5035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.324 |
| InChI Key: | VOVCCVNPAQMFAB-UHFFFAOYSA-N |