N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1188 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 572.61 |
| Molecular Formula: | C31 H25 F N2 O6 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9022 |
| logD: | 3.9022 |
| logSw: | -4.0368 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.781 |
| InChI Key: | UVIHXITVVHKAEO-IBGZPJMESA-N |