2-tert-butyl-7-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-tert-butyl-7-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-tert-butyl-7-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-2248 |
| Compound Name: | 2-tert-butyl-7-({[(4-chlorophenyl)methyl](propyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 404.96 |
| Molecular Formula: | C20 H25 Cl N4 O S |
| Smiles: | CCCN(CC1=CC(N2C(=N1)SC(C(C)(C)C)=N2)=O)Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3207 |
| logD: | 4.211 |
| logSw: | -4.4456 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.232 |
| InChI Key: | NPWLLJRGOWTEAG-UHFFFAOYSA-N |