2-(azepan-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1239 |
| Compound Name: | 2-(azepan-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C21 H25 N5 O2 S2 |
| Smiles: | CSc1ccc(CCNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2097 |
| logD: | 3.2035 |
| logSw: | -3.4287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.412 |
| InChI Key: | MCZCMOPIGIAHJR-UHFFFAOYSA-N |