N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)pyrrolidine-1-carboxamide
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | E006-0559 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | C1CCN(C1)C(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5212 |
| logD: | 5.5212 |
| logSw: | -5.7318 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.236 |
| InChI Key: | DUHHMTVZQLUULZ-UHFFFAOYSA-N |