2-amino-6-benzyl-4-(3-chlorophenyl)-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-benzyl-4-(3-chlorophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-benzyl-4-(3-chlorophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
Compound ID: | E738-0037 |
Compound Name: | 2-amino-6-benzyl-4-(3-chlorophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
Molecular Weight: | 475.95 |
Molecular Formula: | C25 H18 Cl N3 O3 S |
Smiles: | C(c1ccccc1)N1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2cccc(c2)[Cl])S1(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.5322 |
logD: | 4.5322 |
logSw: | -4.6612 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.573 |
InChI Key: | YTUWOEHAMSWCHZ-QFIPXVFZSA-N |