10-bromo-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
Chemical Structure Depiction of
10-bromo-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
10-bromo-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione
Compound characteristics
Compound ID: | 8014-0667 |
Compound Name: | 10-bromo-5-phenyl-3,5,5a,11b-tetrahydro-2H,6H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-2,6-dione |
Molecular Weight: | 446.34 |
Molecular Formula: | C19 H12 Br N O3 S2 |
Smiles: | c1ccc(cc1)C1C2C(C3=C(NC(=O)S3)S1)c1cc(ccc1OC2=O)[Br] |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9021 |
logD: | 4.902 |
logSw: | -5.091 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.872 |
InChI Key: | WZXSHYSANSVRRC-UHFFFAOYSA-N |