N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-ethoxypropyl)-N~2~-(ethylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-ethoxypropyl)-N~2~-(ethylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-ethoxypropyl)-N~2~-(ethylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V031-0536 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(3-ethoxypropyl)-N~2~-(ethylcarbamoyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C24 H33 N3 O5 S |
| Smiles: | CCNC(N(CCCOCC)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2312 |
| logD: | 3.2312 |
| logSw: | -3.2573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.263 |
| InChI Key: | KSGNMHGIJXJWCN-UHFFFAOYSA-N |