4-[2-({[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
4-[2-({[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0088 |
| Compound Name: | 4-[2-({[4-(4-chlorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 461.03 |
| Molecular Formula: | C23 H29 Cl N4 O2 S |
| Smiles: | C=CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)[Cl])=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4016 |
| logD: | 1.5662 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.481 |
| InChI Key: | QPZVRNOSVMFHBH-UHFFFAOYSA-N |