8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C791-0166 |
| Compound Name: | 8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C25 H20 N2 O2 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9328 |
| logD: | 4.9326 |
| logSw: | -4.747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.552 |
| InChI Key: | CEEMVFZYMGOTPO-UHFFFAOYSA-N |