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Chemical ID: 7353225
Chemical ID:
7353225
Name [?]:
None
SMILES [?]:
CC(C(=O)NCCc1ccccc1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C30H28N4O3/c1-18(28(35)31-16-15-19-9-3-2-4-10-19)32-29(36)25-17-23-20-11-7-8-14-24(20)33-26(23)27-21-12-5-6-13-22(21)30(37)34(25)27/h2-14,18,25,27,33H,15-17H2,1H3,(H,31,35)(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,35,36,22,23,9,13,21,34,37,24,7,6,18,2,8,20,33,32,19,25,17,27,28,3,15,30,5,14,26,29,4,16,31/E:(3,4)(9,10)/rA:37cCCCONCCCCCCCCNCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s2;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s25;d19s26;s27;s17s28;s29;d30;s30;s28s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N4O3 |
All Atoms: | 65 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.1997 |
Area: | 744.176 |
Solvation: | -4.40473 |
Coulombic: | -74.2163 |
Bond Count [?]
All: | 42 |
Single: | 29 |
Double: | 13 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.6 |
LogP (Chemaxon): | None |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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