2-methyl-7-(1-methyl-1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-methyl-7-(1-methyl-1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-(1-methyl-1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1011 |
| Compound Name: | 2-methyl-7-(1-methyl-1H-imidazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C11 H16 N6 O3 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6275 |
| logD: | -0.6276 |
| logSw: | -1.2509 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.396 |
| InChI Key: | OXNSEZJDJNCUQX-UHFFFAOYSA-N |