4-{[(1,3-benzothiazol-2-yl)amino]methylidene}-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[(1,3-benzothiazol-2-yl)amino]methylidene}-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
4-{[(1,3-benzothiazol-2-yl)amino]methylidene}-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2084-9988 |
| Compound Name: | 4-{[(1,3-benzothiazol-2-yl)amino]methylidene}-2-(4-bromophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 400.25 |
| Molecular Formula: | C17 H10 Br N3 O2 S |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[Br])=N1)\Nc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6418 |
| logD: | 4.6413 |
| logSw: | -4.8646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.738 |
| InChI Key: | YODKUENYRWNZIG-LCYFTJDESA-N |