1-{2-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{2-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
1-{2-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S923-0852 |
| Compound Name: | 1-{2-[7-(phenylmethanesulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2857 |
| logD: | 1.2857 |
| logSw: | -2.1301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.762 |
| InChI Key: | UHORWTRADPRTNJ-SFHVURJKSA-N |