2-(dimethylamino)-7-[(4-ethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(4-ethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(4-ethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1733 |
| Compound Name: | 2-(dimethylamino)-7-[(4-ethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C19 H26 N4 O2 |
| Smiles: | CCOc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7724 |
| logD: | 1.4311 |
| logSw: | -2.485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.275 |
| InChI Key: | STODZLPGQZSIQG-UHFFFAOYSA-N |