N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0320 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2666 |
| logD: | 3.2666 |
| logSw: | -3.3403 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.069 |
| InChI Key: | MRIBXGFLTJPFBH-UHFFFAOYSA-N |