N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-4990 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-nitrobenzamide |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C26 H28 F N3 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc(cc1)F)C(CN(CCCOC)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9387 |
| logD: | 3.9387 |
| logSw: | -3.9486 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.854 |
| InChI Key: | QLUPJXMESATJKV-UHFFFAOYSA-N |