Chemical ID: 4559936

CC1(C2CCC(OC2c3ccccc3O1)(C)C#CCN(Cc4ccccc4)Cc5ccccc5)C
Chemical ID:
4559936
Name [?]:
None
SMILES [?]:
CC1(C2CCC(OC2c3ccccc3O1)(C)C#CCN(Cc4ccccc4)Cc5ccccc5)C
InChi [?]:
InChI=1/C32H35NO2/c1-31(2)28-19-21-32(3,35-30(28)27-17-10-11-18-29(27)34-31)20-12-22-33(23-25-13-6-4-7-14-25)24-26-15-8-5-9-16-26/h4-11,13-18,28,30H,19,21-24H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,16,25,32,24,26,31,33,11,12,18,23,27,30,34,10,13,4,17,5,19,21,28,22,29,9,3,14,8,2,6,20,15,7/E:(1,2)(4,5)(6,7,8,9)(13,14,15,16)(23,24)(25,26)/rA:35cCCCCCCOCCCCCCCOCCCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;d10;s11;d12;d9s13;s2s14;s6;s6;t17;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;s29;d30;s31;d32;d29s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H35NO2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:12.9826
Area:692.409
Solvation:-4.32764
Coulombic:-27.1892
Bond Count [?]
All:39
Single:29
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:465.626
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.97
LogP (Chemaxon):6.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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