3-[(ethanesulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0686 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.53 |
| Molecular Formula: | C18 H28 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(NCCOC)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1833 |
| logD: | -0.5772 |
| logSw: | -2.2861 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.116 |
| InChI Key: | WUHFQFJJFOKCNE-UHFFFAOYSA-N |