3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061677 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 513.97 |
| Molecular Formula: | C25 H21 Cl F N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N(C(Nc3c2)=S)c2ccc(c(c2)[Cl])F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5301 |
| logD: | 3.4235 |
| logSw: | -4.1338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.222 |
| InChI Key: | DRVFSPVVWGMYJP-UHFFFAOYSA-N |