Chemical ID: 4506964

Cc1ccc2c(c1)c(c(n2CC(Cn3c(cc(n3)C)C)O)c4ccccc4)c5ccccc5
Chemical ID:
4506964
Name [?]:
1-(3,5-dimethylpyrazol-1-yl)-3-(5-methyl-2,3-diphenyl-indol-1-yl)-propan-2-ol
SMILES [?]:
Cc1ccc2c(c1)c(c(n2CC(Cn3c(cc(n3)C)C)O)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C29H29N3O/c1-20-14-15-27-26(16-20)28(23-10-6-4-7-11-23)29(24-12-8-5-9-13-24)31(27)18-25(33)19-32-22(3)17-21(2)30-32/h4-17,25,33H,18-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,31,25,30,32,24,26,29,33,23,27,3,4,7,16,11,13,2,17,15,28,22,12,6,5,8,9,18,10,14,21/E:(6,7)(8,9)(10,11)(12,13)/rA:33cCCCCCCCCCNCCCNCCCNCCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s13;s14;d15;s16;s14d17;s17;s15;s12;s9;s22;d23;s24;d25;d22s26;s8;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H29N3O
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.7276
Area:660.815
Solvation:-4.79278
Coulombic:-29.354
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:435.56
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.82
LogP (Chemaxon):6.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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