2-(4-chlorophenyl)-7-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-7-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0264 |
| Compound Name: | 2-(4-chlorophenyl)-7-({4-[4-(propan-2-yl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 544.09 |
| Molecular Formula: | C25 H26 Cl N5 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccc(cc1)[Cl])=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5149 |
| logD: | 4.5132 |
| logSw: | -4.8548 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | NJDTVKKTQONEFJ-UHFFFAOYSA-N |