N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-3-nitrobenzamide
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-1200 |
| Compound Name: | N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-tert-butyl-3-nitrobenzamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC(C)(C)N(CC(N(Cc1ccccc1)Cc1cccs1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2962 |
| logD: | 4.2962 |
| logSw: | -4.4012 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.64 |
| InChI Key: | IINIRRBKXKAUDQ-UHFFFAOYSA-N |