5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0204 |
| Compound Name: | 5-{4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.53 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4565 |
| logD: | -3.7149 |
| logSw: | -2.4123 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.485 |
| InChI Key: | DSHYSRXUSQXOOV-UHFFFAOYSA-N |