N-benzyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
N-benzyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0457 |
| Compound Name: | N-benzyl-2-(piperazin-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.66 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(NCc1ccccc1)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6019 |
| logD: | 3.1264 |
| logSw: | -4.2277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.413 |
| InChI Key: | SHCYIEYPDBPWLV-UHFFFAOYSA-N |