methyl 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoate
methyl 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | K783-6412 |
| Compound Name: | methyl 4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzoate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C25 H21 N O3 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(=O)OC)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3821 |
| logD: | 6.3821 |
| logSw: | -5.5657 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.243 |
| InChI Key: | KZKBCAFTVRXWJJ-UHFFFAOYSA-N |