2-methyl-7-[4-(propan-2-yl)benzene-1-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-[4-(propan-2-yl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-[4-(propan-2-yl)benzene-1-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: | S636-1036 |
| Compound Name: | 2-methyl-7-[4-(propan-2-yl)benzene-1-sulfonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCC2=NN(C)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5949 |
| logD: | 2.5948 |
| logSw: | -2.8445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.985 |
| InChI Key: | KESSATLHDZVHEX-UHFFFAOYSA-N |