2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0326 |
| Compound Name: | 2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)-6-[(thiophene-2-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 627.01 |
| Molecular Formula: | C23 H27 N5 O5 S2 |
| Salt: | 3HCl |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.665 |
| logD: | 0.7209 |
| logSw: | -3.9331 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.819 |
| InChI Key: | XZBJQWMJWMCBNS-UHFFFAOYSA-N |