7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-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-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1042 |
| Compound Name: | 7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C12 H17 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2=NN(C)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0343 |
| logD: | -0.0344 |
| logSw: | -0.9559 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.023 |
| InChI Key: | MMESCPJZGZVQLR-UHFFFAOYSA-N |