2-amino-6-benzyl-4-(3-bromophenyl)-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-bromophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-6-benzyl-4-(3-bromophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0014 |
| Compound Name: | 2-amino-6-benzyl-4-(3-bromophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 520.4 |
| Molecular Formula: | C25 H18 Br N3 O3 S |
| Smiles: | C(c1ccccc1)N1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2cccc(c2)[Br])S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7756 |
| logD: | 4.7756 |
| logSw: | -4.8918 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | ZSXMNEGZBOSFIS-QFIPXVFZSA-N |