N-(4-fluorophenyl)-5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0596 |
| Compound Name: | N-(4-fluorophenyl)-5-{[(2-{[(3-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C20 H19 F N4 O3 S2 |
| Smiles: | COc1cccc(CNC(CSCc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.36 |
| logD: | 3.3573 |
| logSw: | -3.7382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.073 |
| InChI Key: | DDWGUIVFWOMTMK-UHFFFAOYSA-N |