2-[bis(2-methylpropyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0579 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 574.66 |
| Molecular Formula: | C25 H36 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(CC(C)C)CC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8923 |
| logD: | 4.7767 |
| logSw: | -5.5268 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | SVZORCIDQWLXHX-UHFFFAOYSA-N |