2-(3,4-dihydroisoquinoline-2(1H)-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-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one
Compound characteristics
| Compound ID: | E213-0533 |
| Compound Name: | 2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-methyl-7,8,9,10-tetrahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-4(6H)-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4187 |
| logD: | 3.4187 |
| logSw: | -3.6264 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.932 |
| InChI Key: | MLIDOQXMVPWZSQ-UHFFFAOYSA-N |