N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3,5-dinitrobenzamide
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | V001-1540 |
| Compound Name: | N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-ethoxypropyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C27 H30 N4 O7 S |
| Smiles: | CCOCCCN(CC(N(Cc1ccccc1)Cc1c(C)ccs1)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2504 |
| logD: | 4.2504 |
| logSw: | -4.1675 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 107.87 |
| InChI Key: | DWNZSEGSUOLDNF-UHFFFAOYSA-N |