4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3946-1710 |
| Compound Name: | 4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccccc2)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.1098 |
| logD: | 2.5892 |
| logSw: | -3.4614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.589 |
| InChI Key: | BEIOARKNERSWPO-UHFFFAOYSA-N |