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C₂₆H₃₀N₆O₃CAS 827318-97-8474.57 g/mol

Open in Covalent MOL file

Amide Ether Tertiary amine

Properties

Molecular formula: C₂₆H₃₀N₆O₃
Molar mass: 474.57 g/mol
Exact mass: 474.2379 Da
logP: 2.64Crippen estimate
Polar surface area: 93.8 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

827318-97-8

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OC

InChIKey

XKFTZKGMDDZMJI-HSZRJFAPSA-N

InChI

InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1

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Similar compounds

1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-033 % similar 4-(4-Methylpiperazino)benzoic acid86620-62-432 % similar Azd-45471035270-39-331 % similar Methyl benzoin3524-62-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-[[2-Ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6H-pyrimido[4,5-B][1,4]benzodiazepin-6-one1234480-50-2

Elsewhere

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