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RAD140

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CID

44200882
CAS

1182367-47-0
InChI

InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8, 12, 18, 24, 27H, 1-2H3/t12-, 18+/m0/s1
InChIKey

XMBUPPIEVAFYHO-KPZWWZAWSA-N
Isomeric SMILES

CC1=C(C=CC(=C1Cl)C#N)N[C@@H](C2=NN=C(O2)C3=CC=C(C=C3)C#N)[C@H](C)O
Canonical SMILES

CC1=C(C=CC(=C1Cl)C#N)NC(C2=NN=C(O2)C3=CC=C(C=C3)C#N)C(C)O
IUPAC Name

2-chloro-4-[[(1R, 2S)-1-[5-(4-cyanophenyl)-1, 3, 4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
Molecular Formula

C20H16ClN5O2
Molecular Weight

393.8
Monoisotopic Mass

393.0992525
Polar Area

119
Complexity

623
XLogP

3.1
Heavy Atom Count

28
Hydrogen Bond Donor Count

2
Hydrogen Bond Acceptor Count

7
Rotatable Bond Count

5
Physical Appearance

White Opaque Liquid
Stability

Room Temperature

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