3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0340 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N,N-bis(2-methylpropyl)-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 614.73 |
| Molecular Formula: | C27 H40 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)C(c1ccc(c(c1)NS(c1ccc(C)c(C)c1)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8561 |
| logD: | 4.8561 |
| logSw: | -4.5306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.785 |
| InChI Key: | QTUTXICETPBTLV-UHFFFAOYSA-N |