phenyl{3-[7-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
phenyl{3-[7-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}methanone
phenyl{3-[7-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | S841-0192 |
| Compound Name: | phenyl{3-[7-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C25 H29 N5 O |
| Smiles: | C1CN(CC1c1nnc2CCN(CCc3ccccc3)CCn12)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4719 |
| logD: | 2.2888 |
| logSw: | -2.2672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.729 |
| InChI Key: | JKLFCBBRSWFGKB-QFIPXVFZSA-N |