3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0082 |
| Compound Name: | 3-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-4-(4-propylpiperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.99 |
| Molecular Formula: | C21 H26 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCN1CCN(CC1)c1ccc(cc1NS(c1cc(ccc1OC)[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8708 |
| logD: | 3.8708 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.171 |
| InChI Key: | WTHAVCWDFGCKBR-UHFFFAOYSA-N |