6-[(4-chlorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
6-[(4-chlorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0655 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-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: | Cc1ccc(cc1)C(CSc1ncc2c(c3ccccc3N(Cc3ccc(cc3)[Cl])S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5393 |
| logD: | 5.5393 |
| logSw: | -5.8865 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.414 |
| InChI Key: | AXGPFTKMOYPDGU-UHFFFAOYSA-N |