N-(4-fluorophenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0646 |
| Compound Name: | N-(4-fluorophenyl)-5-{[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C17 H17 F N6 O2 S2 |
| Smiles: | Cc1c(CNC(CSCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0997 |
| logD: | 2.097 |
| logSw: | -2.8348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.797 |
| InChI Key: | XWGNJQOXOYSOKM-UHFFFAOYSA-N |