2-(dimethylamino)-7-[(3-methoxy-4-propoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(3-methoxy-4-propoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(3-methoxy-4-propoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2850 |
| Compound Name: | 2-(dimethylamino)-7-[(3-methoxy-4-propoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CCCOc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)C)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9986 |
| logD: | 0.4618 |
| logSw: | -2.8336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.286 |
| InChI Key: | SIUBZZWBFHQYJG-UHFFFAOYSA-N |