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Chemical ID: 4702121
Chemical ID:
4702121
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)C4C5c6ccccc6C(C4C3=O)c7c5cccc7
InChi [?]:
InChI=1/C32H24N2O4/c1-38-21-16-12-19(13-17-21)33-30(35)18-10-14-20(15-11-18)34-31(36)28-26-22-6-2-3-7-23(22)27(29(28)32(34)37)25-9-5-4-8-24(25)26/h2-17,26-29H,1H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,25,26,36,37,24,27,35,38,13,17,5,7,14,16,4,8,12,6,15,3,23,28,34,33,22,29,21,30,10,19,31,9,18,11,20,32,2/E:(2,3,4,5)(6,7,8,9)(10,11)(12,13)(14,15)(16,17)(22,23,24,25)(26,27)(28,29)(31,32)(36,37)/rA:38cCOCCCCCCNCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;s18s30;d31;s29;s22s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H24N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7807 |
Area: | 700.741 |
Solvation: | -5.73782 |
Coulombic: | -54.0933 |
Bond Count [?]
All: | 44 |
Single: | 29 |
Double: | 15 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 500.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.04 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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