7-[(2,3-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(2,3-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(2,3-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3137 |
| Compound Name: | 7-[(2,3-dimethoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | COc1cccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCOCC2)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3868 |
| logD: | -0.4296 |
| logSw: | -2.1951 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.055 |
| InChI Key: | YDIULXYZMOYAMH-UHFFFAOYSA-N |