3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F919-0993 |
Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 530.57 |
Molecular Formula: | C21 H28 N4 O3 S |
Salt: | CF3COOH |
Smiles: | CCNC(c1ccc(c(c1)NS(c1ccc(C)cc1C)(=O)=O)N1CCNCC1)=O |
Stereo: | ACHIRAL |
logP: | 2.4404 |
logD: | 2.4404 |
logSw: | -2.8662 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 79.613 |
InChI Key: | IKXGCFJPLDVODQ-UHFFFAOYSA-N |