2-(dimethylamino)-7-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1678 |
| Compound Name: | 2-(dimethylamino)-7-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C19 H26 N4 O |
| Smiles: | Cc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.3813 |
| logD: | 1.164 |
| logSw: | -2.8092 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.151 |
| InChI Key: | ZAVIYFZFMXLXDH-UHFFFAOYSA-N |