ethyl 4-{10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C529-0663 |
| Compound Name: | ethyl 4-{10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H26 F N3 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1144 |
| logD: | 3.1144 |
| logSw: | -3.5969 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.213 |
| InChI Key: | CEWHYLIXNBQYJN-UHFFFAOYSA-N |