2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0346 |
| Compound Name: | 2-[(3,4-dimethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3601 |
| logD: | -0.5247 |
| logSw: | -3.5836 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.309 |
| InChI Key: | BORJPUIDKQIKAR-UHFFFAOYSA-N |