N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methylbenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methylbenzamide
Compound characteristics
| Compound ID: | V009-9327 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-butyl-4-methylbenzamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C28 H32 N2 O4 S |
| Smiles: | CCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4118 |
| logD: | 5.4118 |
| logSw: | -5.3148 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.245 |
| InChI Key: | RRGKROFILHWXAB-UHFFFAOYSA-N |