methyl 3-{4-[(butan-2-yl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[(butan-2-yl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[(butan-2-yl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0371 |
| Compound Name: | methyl 3-{4-[(butan-2-yl)carbamoyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCC(C)NC(c1ccc(cc1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7349 |
| logD: | 2.7136 |
| logSw: | -3.3278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.007 |
| InChI Key: | QXJBMWPUYJVHKP-LBPRGKRZSA-N |