methyl 4-(2-amino-6-benzyl-3-cyano-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-6-benzyl-3-cyano-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
methyl 4-(2-amino-6-benzyl-3-cyano-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
Compound characteristics
| Compound ID: | E738-0033 |
| Compound Name: | methyl 4-(2-amino-6-benzyl-3-cyano-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccccc1)c1ccccc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0278 |
| logD: | 4.0278 |
| logSw: | -4.5354 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.747 |
| InChI Key: | UCTQCGCJSIUWAS-QHCPKHFHSA-N |