10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1403 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-ethoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | CCOCCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2768 |
| logD: | 4.2768 |
| logSw: | -4.2303 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.885 |
| InChI Key: | DHLHXESHIKAMDZ-UHFFFAOYSA-N |