N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-3467 |
| Compound Name: | N-(butan-2-yl)-N-(2-{[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Smiles: | CCC(C)N(CC(N(Cc1ccc(cc1)F)Cc1cccs1)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1148 |
| logD: | 5.1148 |
| logSw: | -5.1029 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.56 |
| InChI Key: | ARNWXYLBUOZTGS-IBGZPJMESA-N |