2-[(benzenesulfonyl)amino]-5-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(benzenesulfonyl)amino]-5-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(benzenesulfonyl)amino]-5-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0084 |
| Compound Name: | 2-[(benzenesulfonyl)amino]-5-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 590.57 |
| Molecular Formula: | C22 H28 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4954 |
| logD: | -2.3894 |
| logSw: | -2.732 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.518 |
| InChI Key: | RCUOLQJQXVWIPD-UHFFFAOYSA-N |