N-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]-N'-(3-nitrophenyl)urea
Chemical Structure Depiction of
N-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]-N'-(3-nitrophenyl)urea
N-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]-N'-(3-nitrophenyl)urea
Compound characteristics
| Compound ID: | F129-0233 |
| Compound Name: | N-[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]-N'-(3-nitrophenyl)urea |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Smiles: | C1CCC(CC1)NC1=C(C(=O)Oc2ccccc12)NC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5635 |
| logD: | 4.5574 |
| logSw: | -4.5328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.202 |
| InChI Key: | JQRVVDNPVCXSFF-UHFFFAOYSA-N |