N-[3-(methylsulfanyl)phenyl]-N'-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]urea
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N'-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]urea
N-[3-(methylsulfanyl)phenyl]-N'-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]urea
Compound characteristics
| Compound ID: | F129-0199 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-N'-[2-oxo-4-(propylamino)-2H-1-benzopyran-3-yl]urea |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | CCCNC1=C(C(=O)Oc2ccccc12)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7731 |
| logD: | 3.7698 |
| logSw: | -4.0474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.209 |
| InChI Key: | WBQNEPVQYBMJGZ-UHFFFAOYSA-N |