2-methyl-7-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-methyl-7-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-methyl-7-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3219 |
| Compound Name: | 2-methyl-7-({(2-methylpropyl)[(3,4,5-trimethoxyphenyl)methyl]amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CC(C)CN(CC1=CC(N2C(=N1)SC(C)=N2)=O)Cc1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0064 |
| logD: | 0.3424 |
| logSw: | -3.1595 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.405 |
| InChI Key: | YRQIETACVITUDQ-UHFFFAOYSA-N |