(5-chlorothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(5-chlorothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
(5-chlorothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | T404-0789 |
| Compound Name: | (5-chlorothiophen-2-yl)[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 361.85 |
| Molecular Formula: | C16 H16 Cl N5 O S |
| Smiles: | C1CN(CCN(C1)c1nnc2ccccn12)C(c1ccc(s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5772 |
| logD: | 2.5771 |
| logSw: | -2.9049 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.647 |
| InChI Key: | ZATMEHVJJJNQNH-UHFFFAOYSA-N |