N-(3-ethoxypropyl)-10-[(4-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-(3-ethoxypropyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-ethoxypropyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1271 |
| Compound Name: | N-(3-ethoxypropyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C26 H25 F N2 O5 S |
| Smiles: | CCOCCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 3.2598 |
| logSw: | -3.7702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.885 |
| InChI Key: | NQOUVGZCYRQAJB-UHFFFAOYSA-N |