4-[(3,4-dihydro-2H-1-benzopyran-3-carbonyl)amino]phenyl thiocyanate
Chemical Structure Depiction of
4-[(3,4-dihydro-2H-1-benzopyran-3-carbonyl)amino]phenyl thiocyanate
4-[(3,4-dihydro-2H-1-benzopyran-3-carbonyl)amino]phenyl thiocyanate
Compound characteristics
| Compound ID: | 8582-1820 |
| Compound Name: | 4-[(3,4-dihydro-2H-1-benzopyran-3-carbonyl)amino]phenyl thiocyanate |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | C1C(COc2ccccc12)C(Nc1ccc(cc1)SC#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4466 |
| logD: | 3.4464 |
| logSw: | -3.6019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.496 |
| InChI Key: | CVNHZPLYTOJUPJ-ZDUSSCGKSA-N |