N-[2-(benzylsulfanyl)ethyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(benzylsulfanyl)ethyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061499 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C26 H25 N3 O4 S2 |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(NCCSCc1ccccc1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1356 |
| logD: | 4.1339 |
| logSw: | -4.2963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.835 |
| InChI Key: | LUPWKXSBYQEFAA-UHFFFAOYSA-N |