N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)azepane-1-carboxamide
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | E006-0289 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)azepane-1-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8732 |
| logD: | 4.8732 |
| logSw: | -4.3709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.197 |
| InChI Key: | VELKDKSNHWPPPM-UHFFFAOYSA-N |