{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(thiophen-2-yl)methanone
{3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S923-0495 |
| Compound Name: | {3-[1-(methanesulfonyl)piperidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C17 H23 N5 O3 S2 |
| Smiles: | CS(N1CCCCC1c1nnc2CCN(CCn12)C(c1cccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7984 |
| logD: | 0.7742 |
| logSw: | -2.0369 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.683 |
| InChI Key: | HHAOIDQPZITFHG-ZDUSSCGKSA-N |