2-benzyl-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
2-benzyl-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
2-benzyl-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: | S636-5984 |
| Compound Name: | 2-benzyl-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: | 403.46 |
| Molecular Formula: | C18 H21 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.541 |
| logD: | 1.541 |
| logSw: | -2.2527 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.073 |
| InChI Key: | VLFRXDVZKCNZAH-UHFFFAOYSA-N |