2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | C200-4488 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-[(4-fluorophenyl)methyl]-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 570.46 |
| Molecular Formula: | C25 H17 Br F N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)N1c2ccccc2c2c(cnc(n2)SCC(c2ccc(cc2)[Br])=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3841 |
| logD: | 5.3841 |
| logSw: | -5.5865 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.414 |
| InChI Key: | IWUYHPAJBPFRCL-UHFFFAOYSA-N |