methyl 3-({4-[(3-methylbutyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(3-methylbutyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[(3-methylbutyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0481 |
| Compound Name: | methyl 3-({4-[(3-methylbutyl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0729 |
| logD: | 4.0716 |
| logSw: | -4.2422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.018 |
| InChI Key: | DNXFGYQCSNEWEO-UHFFFAOYSA-N |