7-[(5-bromofuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-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-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(5-bromofuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3772 |
| Compound Name: | 7-[(5-bromofuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 422.32 |
| Molecular Formula: | C18 H24 Br N5 O2 |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3727 |
| logD: | 0.153 |
| logSw: | -2.2605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.372 |
| InChI Key: | JTKMPRQITUPBOU-UHFFFAOYSA-N |