6-benzamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-benzamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-benzamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0518 |
| Compound Name: | 6-benzamido-2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 598.96 |
| Molecular Formula: | C27 H31 N5 O4 |
| Salt: | 3HCl |
| Smiles: | CCCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4536 |
| logD: | 1.5095 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.109 |
| InChI Key: | CBHZTLQBITWVJP-UHFFFAOYSA-N |