N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(propan-2-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(propan-2-yl)butanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(propan-2-yl)butanamide
Compound characteristics
| Compound ID: | V014-5789 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,3-dimethyl-N-(propan-2-yl)butanamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C25 H34 N2 O4 S |
| Smiles: | CC(C)N(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9632 |
| logD: | 4.9632 |
| logSw: | -4.7502 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.755 |
| InChI Key: | IFSHYQXTVIGPDZ-UHFFFAOYSA-N |