3-[(ethanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0679 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.56 |
| Molecular Formula: | C19 H30 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(NCCCOC)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3828 |
| logD: | -0.3777 |
| logSw: | -2.3248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.116 |
| InChI Key: | AUDBGTKEHQPTFY-UHFFFAOYSA-N |