7-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
7-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 8008-5476 |
Compound Name: | 7-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one |
Molecular Weight: | 461.29 |
Molecular Formula: | C19 H13 Br N2 O5 S |
Smiles: | C1CSC(c2cccc(c2)[N+]([O-])=O)N1C(C1=Cc2ccc(cc2OC1=O)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.001 |
logD: | 4.001 |
logSw: | -4.2681 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 70.98 |
InChI Key: | JXBLKQXMTOCFPJ-SFHVURJKSA-N |