7-[(5-bromofuran-2-yl)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-[(5-bromofuran-2-yl)methyl]-2-{methyl[(pyridin-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(5-bromofuran-2-yl)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: | S039-4196 |
| Compound Name: | 7-[(5-bromofuran-2-yl)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: | 444.33 |
| Molecular Formula: | C20 H22 Br N5 O2 |
| Smiles: | CN(Cc1cccnc1)C1NC(C2CCN(CCC=2N=1)Cc1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9133 |
| logD: | 1.8197 |
| logSw: | -1.9796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.916 |
| InChI Key: | BQESUIXTRMSLQL-UHFFFAOYSA-N |