2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S636-1967 |
| Compound Name: | 2-(cyclopropylmethyl)-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: | 367.42 |
| Molecular Formula: | C15 H21 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9044 |
| logD: | 0.8995 |
| logSw: | -1.4935 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.596 |
| InChI Key: | OPWPNWLXUKWNDB-UHFFFAOYSA-N |