7-(1-methyl-1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(1-methyl-1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(1-methyl-1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0107 |
| Compound Name: | 7-(1-methyl-1H-indazole-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C15 H16 N6 O2 |
| Smiles: | Cn1c2ccccc2c(C(N2CCC3=NNC(N3CC2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.5669 |
| logD: | 0.5605 |
| logSw: | -1.8855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.109 |
| InChI Key: | NIDDQNYUDSZHOH-UHFFFAOYSA-N |