4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3536-0019 |
| Compound Name: | 4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C22 H29 F N4 O2 S |
| Smiles: | CC1(C)CC(C(=CNCCN2CCN(CC2)C(Nc2ccc(cc2)F)=S)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8702 |
| logD: | 1.3497 |
| logSw: | -2.5172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.317 |
| InChI Key: | NRTYTPNDCLRFKH-UHFFFAOYSA-N |