7-[(3,4-dimethoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3,4-dimethoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3,4-dimethoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1735 |
| Compound Name: | 7-[(3,4-dimethoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C19 H26 N4 O3 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9765 |
| logD: | -0.5603 |
| logSw: | -2.3226 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.412 |
| InChI Key: | BUAQOSMGIIKXBK-UHFFFAOYSA-N |