2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 8013-2383 |
| Compound Name: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C25 H27 N3 O S |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(Nc1ccccc1)=S)NCCc1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7956 |
| logD: | 4.7726 |
| logSw: | -4.7084 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 42.916 |
| InChI Key: | BANSENSAGYJFBS-UHFFFAOYSA-N |