2-(4-methylpiperazin-1-yl)-7-[(1-methyl-1H-pyrrol-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(4-methylpiperazin-1-yl)-7-[(1-methyl-1H-pyrrol-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-[(1-methyl-1H-pyrrol-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3775 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-[(1-methyl-1H-pyrrol-2-yl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 356.47 |
| Molecular Formula: | C19 H28 N6 O |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1cccn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7338 |
| logD: | -0.4859 |
| logSw: | -1.9947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.174 |
| InChI Key: | LZZZBSWMAZJYFV-UHFFFAOYSA-N |