N-(2-methoxyphenyl)-N'-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(2-methoxyphenyl)-N'-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
N-(2-methoxyphenyl)-N'-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | D471-2984 |
| Compound Name: | N-(2-methoxyphenyl)-N'-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]urea |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(Nc3ccccc3OC)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2303 |
| logD: | 3.0615 |
| logSw: | -3.8389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.413 |
| InChI Key: | ADAUCOWHCPNMND-UHFFFAOYSA-N |