N-(3-chlorophenyl)-3-[1-(methoxyacetyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-3-[1-(methoxyacetyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
N-(3-chlorophenyl)-3-[1-(methoxyacetyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S923-0377 |
| Compound Name: | N-(3-chlorophenyl)-3-[1-(methoxyacetyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 446.94 |
| Molecular Formula: | C21 H27 Cl N6 O3 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5379 |
| logD: | 1.5378 |
| logSw: | -2.5764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.05 |
| InChI Key: | YGAXWTMHQOYBIM-KRWDZBQOSA-N |