10-[(2-methylphenyl)methyl]-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-methylphenyl)methyl]-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-methylphenyl)methyl]-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0082 |
| Compound Name: | 10-[(2-methylphenyl)methyl]-5,11-dioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C27 H22 N2 O3 S2 |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2S(c2ccc(cc12)C(NCc1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6988 |
| logD: | 4.6988 |
| logSw: | -4.3703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.216 |
| InChI Key: | GIJLJXCWMLTDBR-UHFFFAOYSA-N |