2-bromo-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-bromo-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
2-bromo-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8013-9536 |
| Compound Name: | 2-bromo-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C18 H14 Br N3 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C2/C(NC(=N)S2)=O)cc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9034 |
| logD: | 1.9019 |
| logSw: | -2.7602 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.624 |
| InChI Key: | YOIPEHMZBCGRQU-UHFFFAOYSA-N |