3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0618 |
| Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-(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(cc1NS(c1cc(C)ccc1C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7619 |
| logD: | 0.3214 |
| logSw: | -3.7937 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.008 |
| InChI Key: | VMVRJHFBTNADSZ-UHFFFAOYSA-N |