N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-methyl-N-(propan-2-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-methyl-N-(propan-2-yl)butanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-methyl-N-(propan-2-yl)butanamide
Compound characteristics
| Compound ID: | V002-5761 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-methyl-N-(propan-2-yl)butanamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C23 H30 N2 O4 S |
| Smiles: | CC(C)CC(N(CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0565 |
| logD: | 4.0565 |
| logSw: | -4.113 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.755 |
| InChI Key: | QNADRMAMHBGUEL-UHFFFAOYSA-N |