N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3,4,5-trimethoxybenzohydrazide
Chemical Structure Depiction of
N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3,4,5-trimethoxybenzohydrazide
N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3,4,5-trimethoxybenzohydrazide
Compound characteristics
| Compound ID: | K781-2717 |
| Compound Name: | N'-(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3,4,5-trimethoxybenzohydrazide |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C24 H22 F N3 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NNC(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1361 |
| logD: | 4.127 |
| logSw: | -4.3923 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.222 |
| InChI Key: | SSURKXPGPSXLDV-UHFFFAOYSA-N |