7-[(3,4-dimethylphenyl)methyl]-2-{methyl[(pyridin-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3,4-dimethylphenyl)methyl]-2-{methyl[(pyridin-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3,4-dimethylphenyl)methyl]-2-{methyl[(pyridin-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-4106 |
| Compound Name: | 7-[(3,4-dimethylphenyl)methyl]-2-{methyl[(pyridin-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 403.53 |
| Molecular Formula: | C24 H29 N5 O |
| Smiles: | Cc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)Cc2cccnc2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.8562 |
| logD: | 1.6388 |
| logSw: | -2.8685 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.819 |
| InChI Key: | NYSOBPRKFCNMJX-UHFFFAOYSA-N |