2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
Chemical Structure Depiction of
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
Compound characteristics
| Compound ID: | 8019-0562 |
| Compound Name: | 2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C12 H11 N5 O2 S |
| Smiles: | Cn1cnnc1SCC1=NN=C(c2ccccc2O1)O |
| Stereo: | ACHIRAL |
| logP: | 1.098 |
| logD: | -2.326 |
| logSw: | -2.251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.144 |
| InChI Key: | MBFHSMGLXKJCOL-UHFFFAOYSA-N |