N-[(3-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016374 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 514.09 |
| Molecular Formula: | C27 H32 Cl N3 O3 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCc1cccc(c1)[Cl])=O)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.118 |
| logD: | 6.118 |
| logSw: | -5.8641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.953 |
| InChI Key: | AAPNYDYRGPAUFE-UHFFFAOYSA-N |