7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-tert-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-tert-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-tert-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3553 |
| Compound Name: | 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-tert-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCOc1ccc(CN(CC2=CC(N3C(=N2)SC(C(C)(C)C)=N3)=O)Cc2ccccc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7673 |
| logD: | 4.738 |
| logSw: | -4.4393 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.106 |
| InChI Key: | CCKTZAPGNWDFOB-UHFFFAOYSA-N |