N-(3-chloro-4-fluorophenyl)-N'-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
N-(3-chloro-4-fluorophenyl)-N'-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0087 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 375.78 |
| Molecular Formula: | C18 H15 Cl F N3 O3 |
| Smiles: | CCNC1=C(C(=O)Oc2ccccc12)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.601 |
| logD: | 3.5701 |
| logSw: | -4.0677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.993 |
| InChI Key: | OERKGMLATYLZPZ-UHFFFAOYSA-N |