methyl 4-oxo-3-{4-[(propan-2-yl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-[(propan-2-yl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-[(propan-2-yl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0370 |
| Compound Name: | methyl 4-oxo-3-{4-[(propan-2-yl)carbamoyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CC(C)NC(c1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6092 |
| logD: | 2.5878 |
| logSw: | -3.3546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.539 |
| InChI Key: | ZRSSZWRKGBKRBS-UHFFFAOYSA-N |