8-(azepane-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(azepane-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(azepane-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1192 |
| Compound Name: | 8-(azepane-1-carbonyl)-10-[(4-fluorophenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C27 H25 F N2 O4 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0908 |
| logD: | 4.0908 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.36 |
| InChI Key: | ZZTVDYIARJKBKZ-UHFFFAOYSA-N |