10-[(4-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(4-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0805 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H21 F N2 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.178 |
| logD: | 3.178 |
| logSw: | -3.6985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.799 |
| InChI Key: | QUMTWSAATSWCKB-YTTGMZPUSA-N |