7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0343 |
| Compound Name: | 7-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C22 H30 Cl N5 O3 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.669 |
| logD: | 2.6452 |
| logSw: | -3.1795 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.097 |
| InChI Key: | SQSHUJVGWYJMHN-KRWDZBQOSA-N |