3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0328 |
| Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.62 |
| Molecular Formula: | C23 H31 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(ccc1N1CCNCC1)C(N(C)CC(NC)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0078 |
| logD: | 1.0078 |
| logSw: | -2.4172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.346 |
| InChI Key: | XEZCVCUNYGESTE-UHFFFAOYSA-N |