2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1273 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(Cc3ccc(C)cc3)C(=Nc2c1)SCC(c1ccc(cc1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5429 |
| logD: | 5.5429 |
| logSw: | -5.342 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.088 |
| InChI Key: | AZKXVIVTPHBJAL-UHFFFAOYSA-N |