7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-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-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-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: | S636-0732 |
| Compound Name: | 7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C18 H21 N5 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CCC4=NN(C)C(N4CC3)=O)=O)o2)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.4581 |
| logD: | 1.4581 |
| logSw: | -1.4537 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.531 |
| InChI Key: | ZBKWSFYGPHXBLB-UHFFFAOYSA-N |