8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K788-4592 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C30 H23 F N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1cccc(c1)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1668 |
| logD: | 6.1668 |
| logSw: | -6.0361 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.711 |
| InChI Key: | UZIDFDZNDAXUIW-UHFFFAOYSA-N |