N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3,5-dinitrobenzamide
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | V001-1757 |
| Compound Name: | N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 598.68 |
| Molecular Formula: | C29 H34 N4 O8 S |
| Smiles: | CC(C)CN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1c(C)ccs1)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7507 |
| logD: | 4.7507 |
| logSw: | -4.5654 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 115.154 |
| InChI Key: | RJDXULKHLJKGSS-UHFFFAOYSA-N |