N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-3,3-dimethylbutanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V001-9514 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-3,3-dimethylbutanamide |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C26 H34 N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC1CC1)C(CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0923 |
| logD: | 5.0923 |
| logSw: | -5.0028 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.263 |
| InChI Key: | ALSILAZEOMRPSD-UHFFFAOYSA-N |