5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0436 |
| Compound Name: | 5-[(3,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.57 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCNC(c1cc(ccc1N1CCNCC1)NS(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8317 |
| logD: | 1.3562 |
| logSw: | -3.5555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.311 |
| InChI Key: | PSVYMCQBJSXEQA-UHFFFAOYSA-N |