N-benzyl-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-benzyl-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0846 |
| Compound Name: | N-benzyl-3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.64 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCNCC1)C(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8505 |
| logD: | 3.8505 |
| logSw: | -3.9669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.716 |
| InChI Key: | UGBSFBVMKWBIKF-UHFFFAOYSA-N |