6-[(4-fluorophenyl)methyl]-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-[(4-fluorophenyl)methyl]-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
6-[(4-fluorophenyl)methyl]-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0219 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C26 H20 F N3 O4 S2 |
| Smiles: | COc1cccc(c1)C(CSc1ncc2c(c3ccccc3N(Cc3ccc(cc3)F)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8475 |
| logD: | 4.8475 |
| logSw: | -4.5878 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.957 |
| InChI Key: | LTSWQSHRDOTKHJ-UHFFFAOYSA-N |