N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-1688 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C27 H30 F N3 O4 S |
| Smiles: | CC(C)CN(CC(N(Cc1ccc(cc1)F)Cc1c(C)ccs1)=O)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3209 |
| logD: | 5.3209 |
| logSw: | -5.3655 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.232 |
| InChI Key: | MEKZXCXDOUEZMW-UHFFFAOYSA-N |