N-(4-bromo-2-fluorophenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(4-bromo-2-fluorophenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0027 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 406.21 |
| Molecular Formula: | C17 H13 Br F N3 O3 |
| Smiles: | CNC1=C(C(=O)Oc2ccccc12)NC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1898 |
| logD: | 3.1602 |
| logSw: | -3.7144 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.82 |
| InChI Key: | MZGDEHJRSDYIKV-UHFFFAOYSA-N |