10-benzyl-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1920 |
| Compound Name: | 10-benzyl-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0585 |
| logD: | 2.0585 |
| logSw: | -3.2186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.148 |
| InChI Key: | QBMKUFUTDIFERY-UHFFFAOYSA-N |