2-amino-6-[(4-chlorophenyl)methyl]-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-[(4-chlorophenyl)methyl]-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-[(4-chlorophenyl)methyl]-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | C200-3390 |
| Compound Name: | 2-amino-6-[(4-chlorophenyl)methyl]-4-(3-methylphenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C26 H20 Cl N3 O3 S |
| Smiles: | Cc1cccc(c1)C1C(C#N)=C(N)OC2=C1S(N(Cc1ccc(cc1)[Cl])c1ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0621 |
| logD: | 5.0621 |
| logSw: | -5.0992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | RJGKEYWEAQJQRF-QHCPKHFHSA-N |