phenyl{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Chemical Structure Depiction of
phenyl{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
phenyl{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Compound characteristics
| Compound ID: | CM4232-0824 |
| Compound Name: | phenyl{3-[1-(propan-2-yl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | CC(C)N1CCC(C1)c1nnc2CCN(CCn12)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3625 |
| logD: | -2.3099 |
| logSw: | -1.742 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.074 |
| InChI Key: | OWAXYGFNIILQSE-KRWDZBQOSA-N |