2-(dimethylamino)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1667 |
| Compound Name: | 2-(dimethylamino)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 372.47 |
| Molecular Formula: | C20 H28 N4 O3 |
| Smiles: | CCOc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3221 |
| logD: | -0.2147 |
| logSw: | -2.3356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.992 |
| InChI Key: | KDYJTRVZXWBBFN-UHFFFAOYSA-N |