3-methyl-4-oxo-N-phenyl-N-(prop-2-en-1-yl)-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-phenyl-N-(prop-2-en-1-yl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-4-oxo-N-phenyl-N-(prop-2-en-1-yl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0451 |
| Compound Name: | 3-methyl-4-oxo-N-phenyl-N-(prop-2-en-1-yl)-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(CC=C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7757 |
| logD: | 3.7757 |
| logSw: | -4.0196 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | PPOBRJPVNUEPAY-UHFFFAOYSA-N |