2-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1137 |
| Compound Name: | 2-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | Cc1cccc(CNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2453 |
| logD: | 3.1225 |
| logSw: | -3.3489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.571 |
| InChI Key: | VALRJBZMZAKBAX-UHFFFAOYSA-N |