7-chloro-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Chemical Structure Depiction of
7-chloro-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
7-chloro-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione
Compound characteristics
| Compound ID: | C918-0175 |
| Compound Name: | 7-chloro-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione |
| Molecular Weight: | 429.94 |
| Molecular Formula: | C21 H16 Cl N O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.666 |
| logD: | 4.666 |
| logSw: | -4.9127 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.742 |
| InChI Key: | KNYANPBFCHHHFM-UHFFFAOYSA-N |