2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1271 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(3-methylbutyl)-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 548.1 |
| Molecular Formula: | C30 H30 Cl N3 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(Cc3ccc(C)cc3)C(=Nc2c1)SCC(c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1552 |
| logD: | 6.1552 |
| logSw: | -6.0587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.544 |
| InChI Key: | NFMVOOWHIWXVCA-UHFFFAOYSA-N |