methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0260 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C26 H22 N2 O5 S |
| Smiles: | Cc1ccc(CSC2=Nc3cc(ccc3C(N2Cc2ccc3c(c2)OCO3)=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0761 |
| logD: | 5.0761 |
| logSw: | -4.7475 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.06 |
| InChI Key: | VXDROXUPNKOUKQ-UHFFFAOYSA-N |