6-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
6-bromo-3-[2-(3-nitrophenyl)-1,3-thiazolidine-3-carbonyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8007-4117 |
| Compound Name: | 6-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=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7738 |
| logD: | 3.7738 |
| logSw: | -4.1379 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.98 |
| InChI Key: | ZRVZENMNDNJDNQ-SFHVURJKSA-N |