N-(2-chloro-4-methylphenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(2-chloro-4-methylphenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0006 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-N'-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 357.79 |
| Molecular Formula: | C18 H16 Cl N3 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(NC1=C(c2ccccc2OC1=O)NC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2331 |
| logD: | 3.2036 |
| logSw: | -3.7216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.82 |
| InChI Key: | DKHKFXXPHNSVKN-UHFFFAOYSA-N |