2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)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-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0360 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[(3-methylphenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 522.04 |
| Molecular Formula: | C26 H20 Cl N3 O3 S2 |
| Smiles: | Cc1cccc(CN2c3ccccc3c3c(cnc(n3)SCC(c3ccc(cc3)[Cl])=O)S2(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7625 |
| logD: | 5.7625 |
| logSw: | -5.8399 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.414 |
| InChI Key: | YCUUCZCUCJUGSC-UHFFFAOYSA-N |