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Chemical ID: 4569605
Chemical ID:
4569605
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C31H36N4O4/c1-2-3-16-39-26-14-12-25(13-15-26)32-30(37)27(18-22-8-5-4-6-9-22)33-31(38)34-19-23-17-24(21-34)28-10-7-11-29(36)35(28)20-23/h4-15,23-24,27H,2-3,16-21H2,1H3,(H,32,37)(H,33,38)
InChi Info:
AuxInfo=1/1/N:1,2,3,20,19,21,34,18,22,33,35,8,10,7,11,4,29,16,27,39,31,17,28,30,9,6,15,32,36,13,24,12,23,26,38,37,14,25,5/E:(5,6)(8,9)(12,13)(14,15)/rA:39cCCCCOCCCCCCNCOCCCCCCCCNCONCCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s24;s26;s27;s28;s29;s26s30;s30;d32;s33;d34;s35;d36;s32s36;s28s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H36N4O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.9421 |
Area: | 751.86 |
Solvation: | -5.85442 |
Coulombic: | -75.3488 |
Bond Count [?]
All: | 43 |
Single: | 32 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 528.642 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.39 |
LogP (Chemaxon): | 4.01 |
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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