7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0123 |
| Compound Name: | 7-{[4-(5-chlorothiophene-2-sulfonyl)piperazin-1-yl]methyl}-2-(3-methylphenyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C21 H20 Cl N5 O3 S3 |
| Smiles: | Cc1cccc(c1)C1=NN2C(=NC(CN3CCN(CC3)S(c3ccc(s3)[Cl])(=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.309 |
| logD: | 3.3066 |
| logSw: | -3.7237 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.54 |
| InChI Key: | BFZDTDTUXJKPRA-UHFFFAOYSA-N |