methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0278 |
| Compound Name: | methyl 3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | Cc1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9729 |
| logD: | 3.9715 |
| logSw: | -4.1309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.492 |
| InChI Key: | NHHDCBKWXKVPOS-UHFFFAOYSA-N |