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Chemical ID: 4569493
Chemical ID:
4569493
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(Cc2ccccc2)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C29H32N4O4/c1-2-37-24-13-11-23(12-14-24)30-28(35)25(16-20-7-4-3-5-8-20)31-29(36)32-17-21-15-22(19-32)26-9-6-10-27(34)33(26)18-21/h3-14,21-22,25H,2,15-19H2,1H3,(H,30,35)(H,31,36)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,32,16,20,31,33,6,8,5,9,27,14,25,37,29,15,26,28,7,4,13,30,34,11,22,10,21,24,36,35,12,23,3/E:(4,5)(7,8)(11,12)(13,14)/rA:37cCCOCCCCCCNCOCCCCCCCCNCONCCCCCCCCCCONC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s22;s24;s25;s26;s27;s24s28;s28;d30;s31;d32;s33;d34;s30s34;s26s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H32N4O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.6103 |
Area: | 699.637 |
Solvation: | -5.88057 |
Coulombic: | -74.5519 |
Bond Count [?]
All: | 41 |
Single: | 30 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 500.589 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.14 |
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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