4-cyano-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]benzamide
Chemical Structure Depiction of
4-cyano-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]benzamide
4-cyano-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]benzamide
Compound characteristics
Compound ID: | G943-0808 |
Compound Name: | 4-cyano-N-[11-oxo-10-(propan-2-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl]benzamide |
Molecular Weight: | 413.5 |
Molecular Formula: | C24 H19 N3 O2 S |
Smiles: | CC(C)N1C(c2ccccc2Sc2cc(ccc12)NC(c1ccc(C#N)cc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8676 |
logD: | 4.8675 |
logSw: | -4.5614 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.54 |
InChI Key: | PEIKCMKNCSMUKI-UHFFFAOYSA-N |