N-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-N'-(propan-2-yl)urea
N-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | F538-0407 |
| Compound Name: | N-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C21 H20 Cl N5 O4 |
| Smiles: | CC(C)NC(Nc1cccc(c1)c1nc(CN2C(COc3ccc(cc23)[Cl])=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9568 |
| logD: | 3.9567 |
| logSw: | -4.3866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.282 |
| InChI Key: | HSFRROLXRZPJPQ-UHFFFAOYSA-N |