3-[1-(methoxyacetyl)piperidin-2-yl]-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
3-[1-(methoxyacetyl)piperidin-2-yl]-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
3-[1-(methoxyacetyl)piperidin-2-yl]-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S923-0453 |
| Compound Name: | 3-[1-(methoxyacetyl)piperidin-2-yl]-N-(2-phenylethyl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H32 N6 O3 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)C(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8284 |
| logD: | 0.8284 |
| logSw: | -1.7628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.214 |
| InChI Key: | RETSGIOQPNVMGC-IBGZPJMESA-N |