4-{[3-({4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}amino)-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-({4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}amino)-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
4-{[3-({4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}amino)-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8012-3256 |
| Compound Name: | 4-{[3-({4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}amino)-2-imino-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | C/C(/C=C/c1ccc(cc1)N(C)C)=N/N1C(=N)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4333 |
| logD: | 1.038 |
| logSw: | -3.6577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.035 |
| InChI Key: | QGSFREPROQEGDZ-FQEVSTJZSA-N |