N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S039-2401 |
| Compound Name: | N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C17 H28 N6 O3 |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)C(NCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.487 |
| logD: | -1.7067 |
| logSw: | -0.7124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.79 |
| InChI Key: | MYMLCNIWWHDDOC-UHFFFAOYSA-N |