2-{[(3-chlorophenyl)methyl]sulfanyl}-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016419 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 561.15 |
| Molecular Formula: | C31 H33 Cl N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCN(CC1)c1ccccc1)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5163 |
| logD: | 6.5163 |
| logSw: | -6.0321 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.93 |
| InChI Key: | DKQXBACNJIITCB-UHFFFAOYSA-N |