3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0214 |
| Compound Name: | 3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.98 |
| Molecular Formula: | C21 H24 Cl N3 O7 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6734 |
| logD: | 1.9128 |
| logSw: | -3.9818 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.16 |
| InChI Key: | ZSEXSERTDOWLPS-UHFFFAOYSA-N |