N-(2,5-dimethylphenyl)-2-({6-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-({6-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
N-(2,5-dimethylphenyl)-2-({6-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G071-0248 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-({6-[(3-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C27 H23 F N4 O3 S2 |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1ncc2c(c3ccccc3N(Cc3cccc(c3)F)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5573 |
| logD: | 4.5573 |
| logSw: | -4.3277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.618 |
| InChI Key: | RAJMKVAPFDEXRY-UHFFFAOYSA-N |