3-[(benzenesulfonyl)amino]-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0702 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-{4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.6 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)NC(CN1CCN(CC1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5589 |
| logD: | 0.8202 |
| logSw: | -3.8503 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.857 |
| InChI Key: | DRIVGETUIVFQCK-UHFFFAOYSA-N |