7-[(1H-indol-6-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-[(1H-indol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(1H-indol-6-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: | S039-3718 |
| Compound Name: | 7-[(1H-indol-6-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C22 H28 N6 O |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1ccc2cc[nH]c2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5303 |
| logD: | 0.3106 |
| logSw: | -2.6188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.057 |
| InChI Key: | QRQAACNFRLIHEE-UHFFFAOYSA-N |