N-[3-(azepan-1-yl)propyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(azepan-1-yl)propyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0366 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCCN1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.731 |
| logD: | 0.1604 |
| logSw: | -3.5586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.946 |
| InChI Key: | ISVICFQYSDVMIP-UHFFFAOYSA-N |