(3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)[4-(prop-2-en-1-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)[4-(prop-2-en-1-yl)piperazin-1-yl]methanone
(3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)[4-(prop-2-en-1-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | T149-1000 |
| Compound Name: | (3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-5-yl)[4-(prop-2-en-1-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 365.48 |
| Molecular Formula: | C21 H27 N5 O |
| Smiles: | C=CCN1CCN(CC1)C(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9793 |
| logD: | 1.9152 |
| logSw: | -1.9936 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.701 |
| InChI Key: | XWZOXNYKJWCTBQ-SFHVURJKSA-N |