methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0093 |
| Compound Name: | methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C28 H27 Cl N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc(ccc3C(N2Cc2ccc(cc2)[Cl])=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1707 |
| logD: | 7.1707 |
| logSw: | -6.2208 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.945 |
| InChI Key: | PLYMLDWOEWDCGN-UHFFFAOYSA-N |