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Chemical ID: 5607652
Chemical ID:
5607652
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccccc5
InChi [?]:
InChI=1/C32H30N2O3/c1-32(2,3)24-18-16-23(17-19-24)29(35)33(25-12-5-4-6-13-25)20-9-21-34-30(36)26-14-7-10-22-11-8-15-27(28(22)26)31(34)37/h4-8,10-19H,9,20-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,35,34,36,22,28,15,23,29,33,37,21,27,7,9,6,10,14,16,24,8,5,32,20,26,25,11,18,30,2,13,17,12,19,31/E:(1,2,3)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(26,27)(30,31)(36,37)/rA:37nCCCCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;s17s26;d30;s13;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H30N2O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5654 |
Area: | 703.449 |
Solvation: | -3.0208 |
Coulombic: | -48.9347 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 490.592 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 7.5 |
LogP (Chemaxon): | 6.0 |
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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