2-benzyl-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-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-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5912 |
| Compound Name: | 2-benzyl-7-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0082 |
| logD: | 3.0082 |
| logSw: | -3.1964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.767 |
| InChI Key: | WQNGVUCGKFGGRY-UHFFFAOYSA-N |