1-(2-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-oxoethyl)pyrrolidin-2-one
Chemical Structure Depiction of
1-(2-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-oxoethyl)pyrrolidin-2-one
1-(2-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-oxoethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | S923-0582 |
| Compound Name: | 1-(2-{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-oxoethyl)pyrrolidin-2-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C18 H28 N6 O4 S |
| Smiles: | CS(N1CCCCC1c1nnc2CCN(CCn12)C(CN1CCCC1=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.6819 |
| logD: | -1.7061 |
| logSw: | -1.0297 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.671 |
| InChI Key: | IGHKDJMAHRLWEE-AWEZNQCLSA-N |