[4-(2-methylpropyl)piperazin-1-yl](3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)methanone
Chemical Structure Depiction of
[4-(2-methylpropyl)piperazin-1-yl](3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)methanone
[4-(2-methylpropyl)piperazin-1-yl](3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)methanone
Compound characteristics
| Compound ID: | T149-1001 |
| Compound Name: | [4-(2-methylpropyl)piperazin-1-yl](3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)methanone |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C22 H31 N5 O |
| Smiles: | CC(C)CN1CCN(CC1)C(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6539 |
| logD: | 2.3809 |
| logSw: | -2.6856 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.722 |
| InChI Key: | VLOSFKYUXHOHIP-IBGZPJMESA-N |