N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-(3-methylphenyl)urea
Chemical Structure Depiction of
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-(3-methylphenyl)urea
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-(3-methylphenyl)urea
Compound characteristics
| Compound ID: | F524-0308 |
| Compound Name: | N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-N'-(3-methylphenyl)urea |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | Cc1cccc(c1)NC(NCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3436 |
| logD: | 3.3429 |
| logSw: | -3.6464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.44 |
| InChI Key: | AMGGBSHFZLSNRE-UHFFFAOYSA-N |