N-butyl-3-[(4-chlorobenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-3-[(4-chlorobenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-butyl-3-[(4-chlorobenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0116 |
| Compound Name: | N-butyl-3-[(4-chlorobenzene-1-sulfonyl)amino]-N-ethyl-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.06 |
| Molecular Formula: | C23 H31 Cl N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)C(c1ccc(c(c1)NS(c1ccc(cc1)[Cl])(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7864 |
| logD: | 3.7864 |
| logSw: | -4.305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.488 |
| InChI Key: | LPMIIBOUCNFYLA-UHFFFAOYSA-N |