N-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | D471-2964 |
| Compound Name: | N-(3-chlorophenyl)-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: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(Nc3cccc(c3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2298 |
| logD: | 4.061 |
| logSw: | -4.4724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.48 |
| InChI Key: | MNTIBCGQBSNANE-UHFFFAOYSA-N |