N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V001-1561 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C26 H28 F N3 O5 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CCOC)CC(N(Cc1ccc(cc1)F)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0008 |
| logD: | 4.0008 |
| logSw: | -4.2551 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.553 |
| InChI Key: | BRSNUFGCWBUDIU-UHFFFAOYSA-N |