4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3536-0044 |
| Compound Name: | 4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C23 H30 N4 O2 S |
| Smiles: | C=CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccccc2)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.8112 |
| logD: | 0.9758 |
| logSw: | -2.3095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.481 |
| InChI Key: | JPHYBVDVIBBMRA-UHFFFAOYSA-N |