2-(2-methylphenyl)-7-({4-[4-(2-methylpropyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(2-methylphenyl)-7-({4-[4-(2-methylpropyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylphenyl)-7-({4-[4-(2-methylpropyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | F570-0070 |
| Compound Name: | 2-(2-methylphenyl)-7-({4-[4-(2-methylpropyl)benzene-1-sulfonyl]piperazin-1-yl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C27 H31 N5 O3 S2 |
| Smiles: | CC(C)Cc1ccc(cc1)S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1C)=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4957 |
| logD: | 4.4941 |
| logSw: | -4.2498 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.522 |
| InChI Key: | QBBOEOLMBMBJPJ-UHFFFAOYSA-N |