methyl 4-oxo-3-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0315 |
| Compound Name: | methyl 4-oxo-3-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CC(C)NC(Cc1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4957 |
| logD: | 2.4743 |
| logSw: | -3.1042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.326 |
| InChI Key: | OORYZVJCCCDNQY-UHFFFAOYSA-N |