2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1149 |
| Compound Name: | 2-(azepan-1-yl)-N-[(3-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | COc1cccc(CNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6541 |
| logD: | 2.6115 |
| logSw: | -2.9822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.115 |
| InChI Key: | CGLLQRIWEZUDNJ-UHFFFAOYSA-N |