7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0883 |
| Compound Name: | 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 505.04 |
| Molecular Formula: | C27 H25 Cl N4 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.318 |
| logD: | 4.3025 |
| logSw: | -4.625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.507 |
| InChI Key: | VOQHGRYONNZIIM-UHFFFAOYSA-N |