propan-2-yl 4-{[2-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{[2-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonyl]amino}benzoate
propan-2-yl 4-{[2-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | J003-0001 |
| Compound Name: | propan-2-yl 4-{[2-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NS(c1cc(ccc1C)c1ccc2nncn2n1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6467 |
| logD: | 2.4459 |
| logSw: | -3.8724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.13 |
| InChI Key: | VTWZOYLFTXAGSG-UHFFFAOYSA-N |