N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(3-ethoxypropyl)benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(3-ethoxypropyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(3-ethoxypropyl)benzamide
Compound characteristics
| Compound ID: | V012-2585 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(3-ethoxypropyl)benzamide |
| Molecular Weight: | 577.53 |
| Molecular Formula: | C28 H30 Cl2 N2 O5 S |
| Smiles: | CCOCCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4227 |
| logD: | 5.4227 |
| logSw: | -5.9885 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.223 |
| InChI Key: | NWOZMZRTQCDHMK-UHFFFAOYSA-N |