N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclohexylbenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclohexylbenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclohexylbenzamide
Compound characteristics
| Compound ID: | V012-0421 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclohexylbenzamide |
| Molecular Weight: | 539.09 |
| Molecular Formula: | C29 H31 Cl N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(C1CCCCC1)C(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0312 |
| logD: | 6.0312 |
| logSw: | -5.8409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.24 |
| InChI Key: | UGAOQDCOSAUWJV-UHFFFAOYSA-N |