7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0041 |
| Compound Name: | 7-{[4-(2,1,3-benzothiadiazole-4-sulfonyl)piperazin-1-yl]methyl}-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C22 H19 N7 O3 S3 |
| Smiles: | C1CN(CCN1CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3963 |
| logD: | 2.3946 |
| logSw: | -2.5562 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.475 |
| InChI Key: | YKFQIJGPZNICEM-UHFFFAOYSA-N |