N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-3402 |
| Compound Name: | N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 553.68 |
| Molecular Formula: | C29 H35 N3 O6 S |
| Smiles: | CC(C)CN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7137 |
| logD: | 4.7137 |
| logSw: | -4.5203 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.772 |
| InChI Key: | YKPATVYEVAEXLT-UHFFFAOYSA-N |