2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1554 |
| Compound Name: | 2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.96 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN(C1)c1ccc(nn1)[Cl])c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7073 |
| logD: | 1.4566 |
| logSw: | -4.1442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.572 |
| InChI Key: | QDUGXVCBLOSGIU-UHFFFAOYSA-N |