2-amino-6-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | C200-3389 |
| Compound Name: | 2-amino-6-[(4-chlorophenyl)methyl]-4-(4-fluorophenyl)-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 493.94 |
| Molecular Formula: | C25 H17 Cl F N3 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccccc2C2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)F)S1(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5609 |
| logD: | 4.5609 |
| logSw: | -5.2188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | QGNFRQHIDVRLGU-QFIPXVFZSA-N |