9-chloro-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
9-chloro-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
9-chloro-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0730 |
| Compound Name: | 9-chloro-2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 487 |
| Molecular Formula: | C22 H19 Cl N4 O3 S2 |
| Smiles: | CN1c2ccc(cc2c2c(cnc(n2)SCC(N2CCCc3ccccc23)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4154 |
| logD: | 4.4154 |
| logSw: | -4.5372 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.5 |
| InChI Key: | WRFIANLOIJTEIP-UHFFFAOYSA-N |