2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-1150 |
| Compound Name: | 2-({8-chloro-6-[(4-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 615.1 |
| Molecular Formula: | C28 H24 Cl F N4 O5 S2 |
| Smiles: | COc1ccc(CNC(CSc2ncc3c(c4ccc(cc4N(Cc4ccc(cc4)F)S3(=O)=O)[Cl])n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4352 |
| logD: | 4.4352 |
| logSw: | -4.5523 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.899 |
| InChI Key: | PBEFEKHPXQSIBG-UHFFFAOYSA-N |