N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclopropyl-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-cyclopropyl-3,3-dimethylbutanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclopropyl-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V016-0122 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclopropyl-3,3-dimethylbutanamide |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(C1CC1)C(CC(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8271 |
| logD: | 4.8271 |
| logSw: | -4.7239 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.315 |
| InChI Key: | GJSTWUJVGARFKF-UHFFFAOYSA-N |