7-[(1-ethyl-2-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-[(1-ethyl-2-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-[(1-ethyl-2-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: | S039-3969 |
| Compound Name: | 7-[(1-ethyl-2-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: | 434.58 |
| Molecular Formula: | C25 H34 N6 O |
| Smiles: | CCn1c(C)c(CN2CCC3=C(CC2)N=C(NC3=O)N2CCN(C)CC2)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.3968 |
| logD: | -0.8408 |
| logSw: | -2.7979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.473 |
| InChI Key: | FQOGNROIAZFWDI-UHFFFAOYSA-N |