N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V003-9660 |
| Compound Name: | N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccccc1)C(CN(CCCOC)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9096 |
| logD: | 3.9096 |
| logSw: | -3.9171 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.854 |
| InChI Key: | DTYVOFUAZMPMSB-UHFFFAOYSA-N |