N-(4-butylphenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
N-(4-butylphenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide
N-(4-butylphenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 5742-0478 |
| Compound Name: | N-(4-butylphenyl)-4,4-dimethyl-2-{[2-(morpholin-4-yl)ethyl]amino}-6-oxocyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 443.65 |
| Molecular Formula: | C25 H37 N3 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(C1=C(CC(C)(C)CC1=O)NCCN1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7441 |
| logD: | 4.5945 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.936 |
| InChI Key: | FNGJKCPDUPWSKB-UHFFFAOYSA-N |