10-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0602 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 529.03 |
| Molecular Formula: | C30 H22 Cl F N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.52 |
| logD: | 6.52 |
| logSw: | -6.2454 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.711 |
| InChI Key: | NMJKAMHQZKFZCW-UHFFFAOYSA-N |