N-benzyl-5-[(3-methoxybenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-5-[(3-methoxybenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
N-benzyl-5-[(3-methoxybenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0839 |
| Compound Name: | N-benzyl-5-[(3-methoxybenzene-1-sulfonyl)amino]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(c1)S(Nc1ccc(c(c1)C(NCc1ccccc1)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1471 |
| logD: | 1.6716 |
| logSw: | -3.7027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.957 |
| InChI Key: | VCPYWQPBMYGXPV-UHFFFAOYSA-N |