2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0015899 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 605.72 |
| Molecular Formula: | C34 H31 N5 O4 S |
| Smiles: | C(CN1C(=Nc2cc(ccc2C1=O)C(N1CCN(CC1)c1ccccc1)=O)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5132 |
| logD: | 5.5132 |
| logSw: | -5.8026 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.04 |
| InChI Key: | JTUXRTIERXBSOH-UHFFFAOYSA-N |