2-tert-butyl-7-({[(4-ethoxyphenyl)methyl](2-methylpropyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-tert-butyl-7-({[(4-ethoxyphenyl)methyl](2-methylpropyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-tert-butyl-7-({[(4-ethoxyphenyl)methyl](2-methylpropyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3495 |
| Compound Name: | 2-tert-butyl-7-({[(4-ethoxyphenyl)methyl](2-methylpropyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C23 H32 N4 O2 S |
| Smiles: | CCOc1ccc(CN(CC(C)C)CC2=CC(N3C(=N2)SC(C(C)(C)C)=N3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5485 |
| logD: | 4.3476 |
| logSw: | -4.2009 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.378 |
| InChI Key: | RGVLGLDROYZMCJ-UHFFFAOYSA-N |