N-[4-(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-sulfonyl)phenyl]propanamide
Chemical Structure Depiction of
N-[4-(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-sulfonyl)phenyl]propanamide
N-[4-(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-sulfonyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F570-0460 |
| Compound Name: | N-[4-(4-{[5-oxo-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}piperazine-1-sulfonyl)phenyl]propanamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C23 H24 N6 O4 S3 |
| Smiles: | CCC(Nc1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1279 |
| logD: | 2.1257 |
| logSw: | -2.8555 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.69 |
| InChI Key: | CBMNGHDPKGSZQO-UHFFFAOYSA-N |