N-[(furan-2-yl)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-[(furan-2-yl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(furan-2-yl)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: | C529-0058 |
| Compound Name: | N-[(furan-2-yl)methyl]-10-[(2-methylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C27 H22 N2 O4 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCc1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4744 |
| logD: | 4.4744 |
| logSw: | -4.2732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.947 |
| InChI Key: | VLHANEDMRAAPRL-UHFFFAOYSA-N |