4-chloro-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
4-chloro-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-1733 |
| Compound Name: | 4-chloro-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 518.01 |
| Molecular Formula: | C25 H25 Cl F N3 O4 S |
| Smiles: | CC(C)CN(CC(N(Cc1ccc(cc1)F)Cc1cccs1)=O)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7333 |
| logD: | 4.7333 |
| logSw: | -4.882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.232 |
| InChI Key: | SKKMBRPPNJGHFT-UHFFFAOYSA-N |