7-[(3-ethoxyphenyl)methyl]-2-(pyrazin-2-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3-ethoxyphenyl)methyl]-2-(pyrazin-2-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3-ethoxyphenyl)methyl]-2-(pyrazin-2-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-5243 |
| Compound Name: | 7-[(3-ethoxyphenyl)methyl]-2-(pyrazin-2-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | CCOc1cccc(CN2CCC3=C(CC2)N=C(c2cnccn2)NC3=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.4922 |
| logD: | 1.4922 |
| logSw: | -1.8667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.423 |
| InChI Key: | SRHBFBSSMZMSLO-UHFFFAOYSA-N |