11-oxo-10-phenyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine-7,8-dicarbonitrile
Chemical Structure Depiction of
11-oxo-10-phenyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine-7,8-dicarbonitrile
11-oxo-10-phenyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine-7,8-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-2293 |
| Compound Name: | 11-oxo-10-phenyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine-7,8-dicarbonitrile |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C21 H11 N3 O S |
| Smiles: | C(c1cc2c(cc1C#N)Sc1ccccc1C(N2c1ccccc1)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.9391 |
| logD: | 3.9391 |
| logSw: | -4.2317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.902 |
| InChI Key: | BDYHNLMRDRLHAN-UHFFFAOYSA-N |