7-[(5-methoxy-1-methyl-1H-indol-3-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-methoxy-1-methyl-1H-indol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(5-methoxy-1-methyl-1H-indol-3-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: | S039-3968 |
| Compound Name: | 7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 436.56 |
| Molecular Formula: | C24 H32 N6 O2 |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1cn(C)c2ccc(cc12)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6718 |
| logD: | -0.8052 |
| logSw: | -2.3894 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.379 |
| InChI Key: | NMSGMXVFUYLFEM-UHFFFAOYSA-N |