N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0477 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(morpholin-4-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CSc1ccc(CCNC(C2=CC(N=C3N2N=C(N2CCOCC2)S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7423 |
| logD: | 1.1286 |
| logSw: | -2.465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.177 |
| InChI Key: | KEPPGKQQYDBBHQ-UHFFFAOYSA-N |