chempirical

Deltarasin

C40H37N5OCAS 1440898-61-2603.77 g/mol

Open in Covalent MOL file
NHONNNN
EtherSecondary amine

Properties

Molecular formula
C40H37N5O
Molar mass
603.77 g/mol
Exact mass
603.2998 Da
logP
8.39Crippen estimate
Polar surface area
56.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
9
Stereocentres
Sin 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
1440898-61-2
SMILES
C1CNCCC1[C@@H](COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8
InChIKey
LTZKEDSUXKTTTC-KXQOOQHDSA-N
InChI
InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1

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Work with Deltarasin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-737 % similar 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole110963-63-834 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook