ethyl 4-{10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
ethyl 4-{10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C530-1059 |
| Compound Name: | ethyl 4-{10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 551.59 |
| Molecular Formula: | C28 H26 F N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.244 |
| logD: | 3.244 |
| logSw: | -3.6716 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.809 |
| InChI Key: | LULVNNLGVZIUFK-UHFFFAOYSA-N |