(2H-1,3-benzodioxol-5-yl)[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | T404-1116 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 399.84 |
| Molecular Formula: | C19 H18 Cl N5 O3 |
| Smiles: | C1CN(CCN(C1)c1nnc2ccc(cn12)[Cl])C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5144 |
| logD: | 2.5143 |
| logSw: | -3.1653 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.638 |
| InChI Key: | IWTNLBJLPAQYGG-UHFFFAOYSA-N |