2-(dimethylamino)-7-[(3,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(3,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(3,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2655 |
| Compound Name: | 2-(dimethylamino)-7-[(3,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C20 H28 N4 O4 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0648 |
| logD: | -1.9065 |
| logSw: | -2.2839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.129 |
| InChI Key: | KAFJOCYVHGWBEH-UHFFFAOYSA-N |