3-{[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
3-{[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4922-0479 |
| Compound Name: | 3-{[5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | COc1cc(\C=C2/C(N=C(Nc3cccc(c3)C(O)=O)S2)=O)ccc1OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.2317 |
| logD: | 1.3459 |
| logSw: | -4.3021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.167 |
| InChI Key: | XABHIPQHJLMKNT-UHFFFAOYSA-N |