N-butyl-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-butyl-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0746 |
| Compound Name: | N-butyl-5-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]-N-methyl-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.03 |
| Molecular Formula: | C22 H28 Cl F N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)C(c1cc(ccc1N1CCNCC1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1305 |
| logD: | 1.655 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.401 |
| InChI Key: | BVNRQMJKXWXVFW-UHFFFAOYSA-N |