N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(propan-2-yl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(propan-2-yl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(propan-2-yl)glycinamide
Compound characteristics
| Compound ID: | V006-2433 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(propan-2-yl)glycinamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CC(C)N(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2702 |
| logD: | 5.2702 |
| logSw: | -5.1722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.832 |
| InChI Key: | IOAKCEOIIIMCGC-UHFFFAOYSA-N |