5-({[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-({[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1023 |
| Compound Name: | 5-({[2-({[4-(dimethylamino)phenyl]methyl}amino)-2-oxoethyl]sulfanyl}methyl)-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C21 H22 F N5 O2 S2 |
| Smiles: | CN(C)c1ccc(CNC(CSCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4771 |
| logD: | 3.4584 |
| logSw: | -3.8474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.334 |
| InChI Key: | YNIGCZALFXXWHL-UHFFFAOYSA-N |