2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 5236-0133 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C27 H32 N2 O3 S |
| Smiles: | CCCCc1ccc(cc1)NC(C1=C(CC(C)(C)CC1=O)NCc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3657 |
| logD: | 6.3488 |
| logSw: | -5.4459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.319 |
| InChI Key: | GUYLWIUCGHLFBY-UHFFFAOYSA-N |