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]acetamide
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]acetamide
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]acetamide
Compound characteristics
| Compound ID: | F570-0482 |
| 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]acetamide |
| Molecular Weight: | 530.65 |
| Molecular Formula: | C22 H22 N6 O4 S3 |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1cccs1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6201 |
| logD: | 1.6181 |
| logSw: | -2.6085 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.802 |
| InChI Key: | RGWLOTCCAKDRQP-UHFFFAOYSA-N |