N-[(4-fluorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(4-fluorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K783-6073 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C29 H23 F N2 O3 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7528 |
| logD: | 4.7528 |
| logSw: | -4.4407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.198 |
| InChI Key: | APDHYTAYCBEFJK-UHFFFAOYSA-N |