N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methyl-3-nitrophenyl)urea
Chemical Structure Depiction of
N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methyl-3-nitrophenyl)urea
N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methyl-3-nitrophenyl)urea
Compound characteristics
Compound ID: | E567-0175 |
Compound Name: | N-[(1,2-benzoxazol-3-yl)methyl]-N'-(2-methyl-3-nitrophenyl)urea |
Molecular Weight: | 326.31 |
Molecular Formula: | C16 H14 N4 O4 |
Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(NCc1c2ccccc2on1)=O |
Stereo: | ACHIRAL |
logP: | 3.1323 |
logD: | 3.1322 |
logSw: | -3.3548 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.941 |
InChI Key: | HWMZEQDEORFGKC-UHFFFAOYSA-N |