8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1073 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C30 H23 F N2 O4 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5755 |
| logD: | 4.5755 |
| logSw: | -4.4565 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.691 |
| InChI Key: | NWHCUDAKDYJEQM-UHFFFAOYSA-N |