6-chloro-4-({3-[(2-methyl-4-oxoquinazolin-3(4H)-yl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-4-({3-[(2-methyl-4-oxoquinazolin-3(4H)-yl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
6-chloro-4-({3-[(2-methyl-4-oxoquinazolin-3(4H)-yl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F387-0113 |
| Compound Name: | 6-chloro-4-({3-[(2-methyl-4-oxoquinazolin-3(4H)-yl)methyl]-1,2,4-oxadiazol-5-yl}methyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C21 H16 Cl N5 O4 |
| Smiles: | CC1=Nc2ccccc2C(N1Cc1nc(CN2C(COc3ccc(cc23)[Cl])=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.078 |
| logD: | 2.078 |
| logSw: | -3.1809 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.82 |
| InChI Key: | LLUMCCUIVSLSKR-UHFFFAOYSA-N |