2-(2-methoxyethyl)-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(2-methoxyethyl)-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S911-0452 |
| Compound Name: | 2-(2-methoxyethyl)-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | COCCN1C(N2CCC(CCC2=N1)CC(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0507 |
| logD: | 2.0507 |
| logSw: | -2.2293 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.489 |
| InChI Key: | WOSFONCXFWBAAG-GOSISDBHSA-N |