3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0771 |
| Compound Name: | 3-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-4-(piperazin-1-yl)-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.59 |
| Molecular Formula: | C22 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(c1ccc(c(c1)NS(c1ccc(c(c1)OC)OC)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5858 |
| logD: | 1.5858 |
| logSw: | -2.6759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.222 |
| InChI Key: | ZTLMIAQVNXMHHB-UHFFFAOYSA-N |