methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0095 |
| Compound Name: | methyl 3-[(4-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 478.95 |
| Molecular Formula: | C25 H19 Cl N2 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c1)SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0739 |
| logD: | 5.0739 |
| logSw: | -5.1919 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.192 |
| InChI Key: | PVSRGZMNYPBZIP-UHFFFAOYSA-N |