ethyl 4-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl 4-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
ethyl 4-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0471 |
| Compound Name: | ethyl 4-{3-[(2-methylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazine-1-carboxylate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 629.66 |
| Molecular Formula: | C25 H33 N5 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NS(c1ccccc1C)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9537 |
| logD: | 1.9537 |
| logSw: | -2.8144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.731 |
| InChI Key: | OGNJSVSJUNIAOM-UHFFFAOYSA-N |