N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-1534 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Smiles: | CC(C)CN(CC(N(Cc1ccc(cc1)F)Cc1c(C)ccs1)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9186 |
| logD: | 4.9186 |
| logSw: | -4.7471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.533 |
| InChI Key: | PMCVJEGZRWLKJI-UHFFFAOYSA-N |