2-[butyl(methyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0084 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0704 |
| logD: | 2.9547 |
| logSw: | -4.4776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.12 |
| InChI Key: | CPZRHJZBYCZIEO-UHFFFAOYSA-N |