1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
Chemical Structure Depiction of
1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
Compound characteristics
| Compound ID: | 8013-1487 |
| Compound Name: | 1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C21 H15 N O3 S |
| Smiles: | Cc1ccc(cc1)Sc1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.481 |
| logD: | 6.481 |
| logSw: | -5.7839 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.493 |
| InChI Key: | ZUPDHPRTAGVHTH-UHFFFAOYSA-N |