7-(methoxyacetyl)-2-{methyl[2-(pyridin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-(methoxyacetyl)-2-{methyl[2-(pyridin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-(methoxyacetyl)-2-{methyl[2-(pyridin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2474 |
| Compound Name: | 7-(methoxyacetyl)-2-{methyl[2-(pyridin-4-yl)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | CN(CCc1ccncc1)C1NC(C2CCN(CCC=2N=1)C(COC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7452 |
| logD: | -0.8079 |
| logSw: | -1.1037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.792 |
| InChI Key: | AMMCRUKRJBJJOY-UHFFFAOYSA-N |