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Chemical ID: 4580647
Chemical ID:
4580647
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)C6CCCCCCC6
InChi [?]:
InChI=1/C30H35N3O2/c34-28-20-32(22-13-7-2-1-3-8-14-22)30(35)27-19-24-23-15-9-10-16-25(23)31-29(24)26(33(27)28)18-17-21-11-5-4-6-12-21/h4-6,9-12,15-16,22,26-27,31H,1-3,7-8,13-14,17-20H2
InChi Info:
AuxInfo=1/0/N:32,31,33,1,2,6,30,34,14,15,3,5,29,35,13,16,7,8,19,24,4,28,12,11,17,9,20,22,10,26,18,25,21,23,27/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:35cCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s21;d22;s22;s24;s20s25;d26;s25;s28;s29;s30;s31;s32;s33;s28s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H35N3O2 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.5736 |
Area: | 671.066 |
Solvation: | -3.203 |
Coulombic: | -48.0494 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 469.618 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.33 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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