4-{2-[(4-chlorobenzene-1-sulfonyl)amino]-1,2-dihydroacenaphthylen-1-yl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-{2-[(4-chlorobenzene-1-sulfonyl)amino]-1,2-dihydroacenaphthylen-1-yl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
4-{2-[(4-chlorobenzene-1-sulfonyl)amino]-1,2-dihydroacenaphthylen-1-yl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3940-0039 |
| Compound Name: | 4-{2-[(4-chlorobenzene-1-sulfonyl)amino]-1,2-dihydroacenaphthylen-1-yl}-N-(prop-2-en-1-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 527.11 |
| Molecular Formula: | C26 H27 Cl N4 O2 S2 |
| Smiles: | C=CCNC(N1CCN(CC1)C1C(c2cccc3cccc1c23)NS(c1ccc(cc1)[Cl])(=O)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0765 |
| logD: | 5.0756 |
| logSw: | -5.4928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.704 |
| InChI Key: | KGGARYKKQPKCEC-UHFFFAOYSA-N |