4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0682 |
| Compound Name: | 4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.63 |
| Molecular Formula: | C21 H28 N4 O6 S2 |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(CN1CCN(CC1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2078 |
| logD: | 0.2699 |
| logSw: | -2.7822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.236 |
| InChI Key: | IYZLAWUXPICPPY-UHFFFAOYSA-N |