7-[(4-ethoxy-3-methoxyphenyl)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-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3104 |
| Compound Name: | 7-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C22 H30 N4 O4 |
| Smiles: | CCOc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCOCC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.2796 |
| logD: | -0.2572 |
| logSw: | -2.3106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.548 |
| InChI Key: | CBMKUZXVKYNYMU-UHFFFAOYSA-N |