2-amino-4-(4-chlorophenyl)-6-ethyl-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-chlorophenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(4-chlorophenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
Compound ID: | E738-0105 |
Compound Name: | 2-amino-4-(4-chlorophenyl)-6-ethyl-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
Molecular Weight: | 413.88 |
Molecular Formula: | C20 H16 Cl N3 O3 S |
Smiles: | CCN1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)[Cl])S1(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3215 |
logD: | 3.3215 |
logSw: | -4.4561 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.569 |
InChI Key: | QBYSIQYWFVAGSS-KRWDZBQOSA-N |