4-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]phenyl thiocyanate
Chemical Structure Depiction of
4-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]phenyl thiocyanate
4-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]phenyl thiocyanate
Compound characteristics
| Compound ID: | D731-0615 |
| Compound Name: | 4-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]phenyl thiocyanate |
| Molecular Weight: | 324.36 |
| Molecular Formula: | C17 H12 N2 O3 S |
| Smiles: | C1C(C(Nc2ccc(cc2)SC#N)=O)OC(c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.016 |
| logD: | 3.0159 |
| logSw: | -3.6643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.951 |
| InChI Key: | ZDORZFHAWPZBFS-HNNXBMFYSA-N |