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Chemical ID: 4569397
Chemical ID:
4569397
Name [?]:
None
SMILES [?]:
COc1cccc(c1)NC(=O)C(Cc2ccccc2)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C28H30N4O4/c1-36-23-10-5-9-22(15-23)29-27(34)24(14-19-7-3-2-4-8-19)30-28(35)31-16-20-13-21(18-31)25-11-6-12-26(33)32(25)17-20/h2-12,15,20-21,24H,13-14,16-18H2,1H3,(H,29,34)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,5,31,15,19,6,4,30,32,26,13,8,24,36,28,14,25,27,7,3,12,29,33,10,21,9,20,23,35,34,11,22,2/E:(3,4)(7,8)/rA:36cCOCCCCCCNCOCCCCCCCCNCONCCCCCCCCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s21;s23;s24;s25;s26;s23s27;s27;d29;s30;d31;s32;d33;s29s33;s25s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.8685 |
Area: | 672.66 |
Solvation: | -5.94803 |
Coulombic: | -74.4477 |
Bond Count [?]
All: | 40 |
Single: | 29 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.562 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.8 |
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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