7-(3,5-dimethyl-1,2-oxazole-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
7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-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)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0510 |
| Compound Name: | 7-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C11 H15 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2=NNC(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0603 |
| logD: | -0.0668 |
| logSw: | -1.2467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.674 |
| InChI Key: | HZILSTMNUKACNR-UHFFFAOYSA-N |