1-{4-[7-(4-fluoro-3-methylbenzene-1-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
1-{4-[7-(4-fluoro-3-methylbenzene-1-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
1-{4-[7-(4-fluoro-3-methylbenzene-1-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: | S905-0254 |
| Compound Name: | 1-{4-[7-(4-fluoro-3-methylbenzene-1-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: | 435.52 |
| Molecular Formula: | C20 H26 F N5 O3 S |
| Smiles: | CC(N1CCC(CC1)c1nnc2CCN(CCn12)S(c1ccc(c(C)c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5652 |
| logD: | 1.5642 |
| logSw: | -2.4432 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.169 |
| InChI Key: | PPILRKVKPKVSCK-UHFFFAOYSA-N |