10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-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-methoxypropyl)-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-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1407 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(3-methoxypropyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCOC)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9731 |
| logD: | 3.9731 |
| logSw: | -4.0747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.25 |
| InChI Key: | QVMFIRZKJAZZRQ-UHFFFAOYSA-N |