N-(butan-2-yl)-N'-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)urea
N-(butan-2-yl)-N'-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)urea
Compound characteristics
| Compound ID: | F538-0554 |
| Compound Name: | N-(butan-2-yl)-N'-(3-{5-[(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)urea |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H22 Cl N5 O4 |
| Smiles: | CCC(C)NC(Nc1cccc(c1)c1nc(CN2C(COc3ccc(cc23)[Cl])=O)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2551 |
| logD: | 4.2551 |
| logSw: | -4.559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.749 |
| InChI Key: | FXIZJAIRVNFFCN-ZDUSSCGKSA-N |