N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
Compound ID: | V012-2985 |
Compound Name: | N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide |
Molecular Weight: | 500.02 |
Molecular Formula: | C25 H26 Cl N3 O4 S |
Smiles: | CC(C)CN(CC(N(Cc1ccccc1)Cc1cccs1)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.7042 |
logD: | 4.7042 |
logSw: | -4.8789 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.232 |
InChI Key: | UPUWCUSKJYKOGG-UHFFFAOYSA-N |