methyl 3-({4-[(butan-2-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(butan-2-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[(butan-2-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0483 |
| Compound Name: | methyl 3-({4-[(butan-2-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCC(C)NC(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3262 |
| logD: | 3.3249 |
| logSw: | -3.5919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.618 |
| InChI Key: | JGWFVHOUTSAQPO-ZDUSSCGKSA-N |