(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | T404-0892 |
| Compound Name: | (4,5,6,7-tetrahydro-1-benzothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | C1CCc2c(C1)cc(C(N1CCCN(CC1)c1nnc3ccccn13)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0449 |
| logD: | 3.0449 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.568 |
| InChI Key: | OYXPFJPWFFRZHZ-UHFFFAOYSA-N |