2-benzyl-7-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-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-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5914 |
| Compound Name: | 2-benzyl-7-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C26 H27 N5 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2558 |
| logD: | 3.2558 |
| logSw: | -3.1862 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.861 |
| InChI Key: | SPCDIKALGHNEOY-UHFFFAOYSA-N |