3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0771 |
| Compound Name: | 3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.53 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1cc(ccc1N1CCOCC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4771 |
| logD: | 1.7383 |
| logSw: | -4.1082 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.658 |
| InChI Key: | QOAHIQBRJOJGPL-UHFFFAOYSA-N |