1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-0171 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C20 H17 N3 O S |
| Smiles: | C1Cc2ccccc2N(C(CSc2ncccn2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.9403 |
| logD: | 3.9403 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.831 |
| InChI Key: | OTBCOCQAXFXPFB-UHFFFAOYSA-N |