N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-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]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0792 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 556.61 |
| Molecular Formula: | C31 H25 F N2 O5 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7726 |
| logD: | 3.7726 |
| logSw: | -3.9892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.184 |
| InChI Key: | RVQFSDVZMGVYQB-UHFFFAOYSA-N |