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Chemical ID: 4568380
Chemical ID:
4568380
Name [?]:
None
SMILES [?]:
CC(C)C(C(=O)Nc1ccc(cc1)OCc2ccccc2)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C30H34N4O4/c1-20(2)28(29(36)31-24-11-13-25(14-12-24)38-19-21-7-4-3-5-8-21)32-30(37)33-16-22-15-23(18-33)26-9-6-10-27(35)34(26)17-22/h3-14,20,22-23,28H,15-19H2,1-2H3,(H,31,36)(H,32,37)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,33,17,21,32,34,9,13,10,12,28,26,38,30,15,2,16,27,29,8,11,31,35,4,5,23,7,22,25,37,36,6,24,14/E:(1,2)(4,5)(7,8)(11,12)(13,14)/rA:38cCCCCCONCCCCCCOCCCCCCCNCONCCCCCCCCCCONC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s4;s22;d23;s23;s25;s26;s27;s28;s25s29;s29;d31;s32;d33;s34;d35;s31s35;s27s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H34N4O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 12.7749 |
Area: | 737.35 |
Solvation: | -5.65887 |
Coulombic: | -76.0395 |
Bond Count [?]
All: | 42 |
Single: | 31 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 514.616 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.76 |
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.
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