2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-1043 |
| Compound Name: | 2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 567.08 |
| Molecular Formula: | C27 H23 Cl N4 O4 S2 |
| Smiles: | COc1cccc(CNC(CSc2ncc3c(c4ccc(cc4N(Cc4ccccc4)S3(=O)=O)[Cl])n2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8885 |
| logD: | 4.8885 |
| logSw: | -4.941 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.182 |
| InChI Key: | YIAKYGTVFQPXJD-UHFFFAOYSA-N |