2-(4-benzylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Chemical Structure Depiction of
2-(4-benzylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-(4-benzylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0383 |
| Compound Name: | 2-(4-benzylpiperazine-1-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8658 |
| logD: | 2.851 |
| logSw: | -3.0381 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.811 |
| InChI Key: | JMNHQBCSDILEAG-UHFFFAOYSA-N |