2-methoxy-1-{2-[7-(thiophene-2-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-{2-[7-(thiophene-2-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
2-methoxy-1-{2-[7-(thiophene-2-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S923-0395 |
| Compound Name: | 2-methoxy-1-{2-[7-(thiophene-2-sulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | COCC(N1CCCCC1c1nnc2CCN(CCn12)S(c1cccs1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4347 |
| logD: | 0.4347 |
| logSw: | -2.0612 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.31 |
| InChI Key: | XWXLZKOWBRVDLB-AWEZNQCLSA-N |