N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(ethylcarbamoyl)-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(ethylcarbamoyl)-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(ethylcarbamoyl)-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-1099 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(ethylcarbamoyl)-N~2~-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CCNC(N(CC(C)C)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9234 |
| logD: | 3.9234 |
| logSw: | -3.912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.307 |
| InChI Key: | ISYAXCACSNIDHC-UHFFFAOYSA-N |