10-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0740 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C31 H24 F N3 O3 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.5303 |
| logD: | 4.5303 |
| logSw: | -4.3527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.91 |
| InChI Key: | CSOKFJMQQTWFJF-UHFFFAOYSA-N |