N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | D137-0487 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)-3-propyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 445.94 |
| Molecular Formula: | C21 H21 Cl F N5 O S |
| Smiles: | CCCc1nnc2n1NC(C(C(Nc1cccc(c1C)[Cl])=O)S2)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9136 |
| logD: | 4.9106 |
| logSw: | -5.024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.333 |
| InChI Key: | WTTXUVXPLKQBMQ-UHFFFAOYSA-N |