2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0508 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C19 H14 Cl N3 O3 S2 |
| Smiles: | CN1c2ccccc2c2c(cnc(n2)SCC(c2ccc(cc2)[Cl])=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9363 |
| logD: | 3.9363 |
| logSw: | -4.4394 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.69 |
| InChI Key: | VNXHEBLLVGYAKU-UHFFFAOYSA-N |