4-{[5-(4-bromophenyl)-2H-1,3-oxathiol-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[5-(4-bromophenyl)-2H-1,3-oxathiol-2-ylidene]amino}benzoic acid
4-{[5-(4-bromophenyl)-2H-1,3-oxathiol-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | 8010-5865 |
| Compound Name: | 4-{[5-(4-bromophenyl)-2H-1,3-oxathiol-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 376.23 |
| Molecular Formula: | C16 H10 Br N O3 S |
| Smiles: | C1=C(c2ccc(cc2)[Br])O/C(=N/c2ccc(cc2)C(O)=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7459 |
| logD: | 1.3558 |
| logSw: | -4.6732 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.07 |
| InChI Key: | AUPLAHFZOBBMPK-UHFFFAOYSA-N |