3-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0452 |
| Compound Name: | 3-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C18 H19 N3 O2 S2 |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9376 |
| logD: | 2.9376 |
| logSw: | -3.2624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.054 |
| InChI Key: | PFYGXFWYPFHPTN-UHFFFAOYSA-N |