7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3564 |
| Compound Name: | 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 533.05 |
| Molecular Formula: | C28 H25 Cl N4 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3006 |
| logD: | 4.3005 |
| logSw: | -4.5821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.053 |
| InChI Key: | KHNLGCMXLXOLDN-UHFFFAOYSA-N |