2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0367 |
| Compound Name: | 2-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.98 |
| Molecular Formula: | C21 H23 Cl N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1508 |
| logD: | -1.734 |
| logSw: | -3.0271 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.963 |
| InChI Key: | VSVXPGZEOUGIEM-UHFFFAOYSA-N |