2-[(4-ethylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(4-ethylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0401 |
| Compound Name: | 2-[(4-ethylbenzene-1-sulfonyl)amino]-5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(CC)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3441 |
| logD: | -0.5407 |
| logSw: | -3.5669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.176 |
| InChI Key: | URAITDPKTHTLRU-UHFFFAOYSA-N |