N-(3-chloro-4-methylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
N-(3-chloro-4-methylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E551-0272 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(3-{2-[(4-methoxybenzene-1-sulfonyl)amino]ethyl}[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C23 H23 Cl N6 O4 S2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1ccc2nnc(CCNS(c3ccc(cc3)OC)(=O)=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9672 |
| logD: | 3.967 |
| logSw: | -4.2914 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.027 |
| InChI Key: | CZEAKKYRONHQDS-UHFFFAOYSA-N |