2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016019 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 595.16 |
| Molecular Formula: | C34 H31 Cl N4 O2 S |
| Smiles: | C(CN1C(=Nc2cc(ccc2C1=O)C(N1CCN(CC1)c1ccccc1)=O)SCc1cccc(c1)[Cl])c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3064 |
| logD: | 6.3064 |
| logSw: | -6.1938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.658 |
| InChI Key: | HQXLHJDNMZGRLK-UHFFFAOYSA-N |