7-[(3,5-dimethoxyphenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3,5-dimethoxyphenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3,5-dimethoxyphenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-6041 |
| Compound Name: | 7-[(3,5-dimethoxyphenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C18 H21 N3 O4 |
| Smiles: | COc1cc(CC(N2CCC3=C(CC2)N=CNC3=O)=O)cc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 0.5832 |
| logD: | 0.5724 |
| logSw: | -1.6611 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.253 |
| InChI Key: | MHRWOYVVAZRHRY-UHFFFAOYSA-N |