2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate
Chemical Structure Depiction of
2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate
2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate
Compound characteristics
| Compound ID: | Y021-1462 |
| Compound Name: | 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate |
| Molecular Weight: | 294.37 |
| Molecular Formula: | C17 H14 N2 O S |
| Smiles: | C1Cc2ccccc2N(C(CSC#N)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7431 |
| logD: | 3.7431 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.742 |
| InChI Key: | BWJPRMXKIWYPAB-UHFFFAOYSA-N |