({4-[(2,5-dimethylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-[(2,5-dimethylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}sulfanyl)acetic acid
({4-[(2,5-dimethylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 7202-0309 |
| Compound Name: | ({4-[(2,5-dimethylbenzene-1-sulfonyl)imino]-1-oxo-1,4-dihydronaphthalen-2-yl}sulfanyl)acetic acid |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C20 H17 N O5 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(/N=C1/C=C(C(c2ccccc12)=O)SCC(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1861 |
| logD: | 0.414 |
| logSw: | -3.499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.64 |
| InChI Key: | PPLCZNMWAXZCTP-UHFFFAOYSA-N |