7-[(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-[(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
Available: 1 mg
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mg
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Compound characteristics

Compound ID: S039-3646
Compound Name: 7-[(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: 406.53
Molecular Formula: C23 H30 N6 O
Smiles: Cc1c(CN2CCC3=C(CC2)N=C(NC3=O)N2CCN(C)CC2)c2ccccc2[nH]1
Stereo: ACHIRAL
logP: 1.749
logD: 0.2428
logSw: -2.4547
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 2
Polar surface area: 55.202
InChI Key: SBXJAIQDJAURGA-UHFFFAOYSA-N
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