3-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4(3H)-one
3-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0015770 |
| Compound Name: | 3-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(4-methylpiperazine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2609 |
| logD: | 3.1302 |
| logSw: | -3.619 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.414 |
| InChI Key: | ZHUOJNCHLOGZOA-UHFFFAOYSA-N |