4-{[3-ethyl-6-(methoxycarbonyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-ylidene]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-ethyl-6-(methoxycarbonyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-ylidene]amino}benzoic acid
4-{[3-ethyl-6-(methoxycarbonyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-ylidene]amino}benzoic acid
Compound characteristics
| Compound ID: | 8016-2219 |
| Compound Name: | 4-{[3-ethyl-6-(methoxycarbonyl)-4-oxo-3,4-dihydro-2H-1,3-thiazin-2-ylidene]amino}benzoic acid |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C15 H14 N2 O5 S |
| Smiles: | CCN1/C(=N/c2ccc(cc2)C(O)=O)SC(=CC1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3098 |
| logD: | -1.0803 |
| logSw: | -2.4691 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.626 |
| InChI Key: | XHITXJLYCGUVJY-UHFFFAOYSA-N |