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Chemical ID: 6430666
Chemical ID:
6430666
Name [?]:
1-(5,7-dimethyl-2,3-diphenyl-indol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol
SMILES [?]:
Cc1cc(c2c(c1)c(c(n2CC(Cn3c(cc(n3)C)C)O)c4ccccc4)c5ccccc5)C
InChi [?]:
InChI=1/C30H31N3O/c1-20-15-21(2)29-27(16-20)28(24-11-7-5-8-12-24)30(25-13-9-6-10-14-25)32(29)18-26(34)19-33-23(4)17-22(3)31-33/h5-17,26,34H,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,19,20,31,25,30,32,24,26,29,33,23,27,3,7,16,11,13,2,4,17,15,28,22,12,6,8,5,9,18,10,14,21/E:(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCCCCCNCCCNCCCNCCOCCCCCCCCCCCCC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H31N3O |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9687 |
Area: | 671.168 |
Solvation: | -4.81052 |
Coulombic: | -29.0858 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 449.587 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.05 |
LogP (Chemaxon): | 6.72 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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