3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0893 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 509 |
| Molecular Formula: | C26 H22 Cl F N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.7876 |
| logD: | 4.7875 |
| logSw: | -4.9718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.227 |
| InChI Key: | CTDYGENTPUEVRL-UHFFFAOYSA-N |