4-(1,3-benzothiazol-2-yl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Compound characteristics
| Compound ID: | SA05-0912 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[3-methyl-8-(pyrrolidine-1-carbonyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C22 H26 N6 O2 S |
| Smiles: | Cc1nnc2C(C(N3CCCC3)=O)N(CCn12)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0051 |
| logD: | 2.005 |
| logSw: | -2.241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.673 |
| InChI Key: | KTPYWXJTOVSKCL-HXUWFJFHSA-N |