2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1101 |
| Compound Name: | 2-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | COc1ccc(CCNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0075 |
| logD: | 2.0013 |
| logSw: | -2.7609 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.673 |
| InChI Key: | HXFNDZXDTSVFQC-UHFFFAOYSA-N |