7-[(3-methylphenyl)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-methylphenyl)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-methylphenyl)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: | S039-4139 |
| Compound Name: | 7-[(3-methylphenyl)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: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | Cc1cccc(CN2CCC3=C(CC2)N=C(NC3=O)N(C)Cc2cccnc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5249 |
| logD: | 1.7875 |
| logSw: | -2.3684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.819 |
| InChI Key: | AESANZIQVXLTHN-UHFFFAOYSA-N |