1-{3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-phenylbutan-1-one
1-{3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | S905-0588 |
| Compound Name: | 1-{3-[1-(methanesulfonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CCC(C(N1CCc2nnc(C3CCN(CC3)S(C)(=O)=O)n2CC1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6364 |
| logD: | 1.6341 |
| logSw: | -2.2315 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.194 |
| InChI Key: | DPSCHKBZQNAKLO-LJQANCHMSA-N |