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Chemical ID: 5607763
Chemical ID:
5607763
Name [?]:
None
SMILES [?]:
CCC(=O)N(CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)c4ccc(cc4)Oc5ccccc5
InChi [?]:
InChI=1/C30H26N2O4/c1-2-27(33)31(22-15-17-24(18-16-22)36-23-11-4-3-5-12-23)19-8-20-32-29(34)25-13-6-9-21-10-7-14-26(28(21)25)30(32)35/h3-7,9-18H,2,8,19-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,34,33,35,14,20,7,15,21,32,36,13,19,25,29,26,28,6,8,16,24,31,27,12,18,3,17,10,22,5,9,4,11,23,30/E:(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(25,26)(29,30)(34,35)/rA:36nCCCONCCCNCOCCCCCCCCCCCOCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s9s18;d22;s5;s24;d25;s26;d27;d24s28;s27;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7284 |
Area: | 719.614 |
Solvation: | -4.26197 |
Coulombic: | -52.8779 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 478.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.7 |
LogP (Chemaxon): | 4.7 |
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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