2-amino-4-(4-hydroxyphenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxyphenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(4-hydroxyphenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0312 |
| Compound Name: | 2-amino-4-(4-hydroxyphenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | Cc1cccc(CN2c3ccccc3C3=C(C(C(C#N)=C(N)O3)c3ccc(cc3)O)S2(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9639 |
| logD: | 3.9637 |
| logSw: | -4.3879 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.19 |
| InChI Key: | NQONRZDOKWHHKK-QHCPKHFHSA-N |