3-[(methanesulfonyl)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-[(methanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(methanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0617 |
| Compound Name: | 3-[(methanesulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 512.5 |
| Molecular Formula: | C17 H26 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3122 |
| logD: | -0.7976 |
| logSw: | -2.3432 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.225 |
| InChI Key: | HILBLHZEWIOVOR-UHFFFAOYSA-N |