2-(4-methylpiperazin-1-yl)-7-[(2,4,5-trimethoxyphenyl)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-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(4-methylpiperazin-1-yl)-7-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3641 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-7-[(2,4,5-trimethoxyphenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C23 H33 N5 O4 |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1cc(c(cc1OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0701 |
| logD: | -0.4907 |
| logSw: | -2.1812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.167 |
| InChI Key: | NMUBBPIHDPZZIK-UHFFFAOYSA-N |