methyl 3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0054 |
| Compound Name: | methyl 3-(2-methoxyethyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | Cc1ccc(CSC2=Nc3cc(ccc3C(N2CCOC)=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4238 |
| logD: | 3.4238 |
| logSw: | -3.6995 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.537 |
| InChI Key: | NNSYSBCNWSOGJV-UHFFFAOYSA-N |