N-(2-fluorophenyl)-6-(4-methoxyphenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-6-(4-methoxyphenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-(2-fluorophenyl)-6-(4-methoxyphenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | D137-0656 |
| Compound Name: | N-(2-fluorophenyl)-6-(4-methoxyphenyl)-3-(phenoxymethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccccc2F)=O)Sc2nnc(COc3ccccc3)n2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0882 |
| logD: | 4.0864 |
| logSw: | -4.2048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.104 |
| InChI Key: | YXQPVPJGHNTFST-UHFFFAOYSA-N |