10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1007 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C28 H30 N2 O4 S |
| Smiles: | CCOCCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1472 |
| logD: | 4.1472 |
| logSw: | -4.1809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.289 |
| InChI Key: | MGKZWNOJNGIUDI-UHFFFAOYSA-N |