methyl 3-[4-(cyclohexylcarbamoyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(cyclohexylcarbamoyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(cyclohexylcarbamoyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0348 |
| Compound Name: | methyl 3-[4-(cyclohexylcarbamoyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7878 |
| logD: | 3.7665 |
| logSw: | -4.0154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.019 |
| InChI Key: | DWZFSLPMVRQMLT-UHFFFAOYSA-N |