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Chemical ID: 7406282
Chemical ID:
7406282
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(cc(c4oc3C(=O)N2CCc5ccc(cc5)OC)C)C
InChi [?]:
InChI=1/C30H29NO6/c1-5-36-24-16-20(8-11-23(24)32)26-25-27(33)22-15-17(2)14-18(3)28(22)37-29(25)30(34)31(26)13-12-19-6-9-21(35-4)10-7-19/h6-11,14-16,26,32H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,36,35,2,29,33,7,30,32,8,27,26,18,16,5,17,19,28,6,31,15,9,4,12,11,13,20,22,23,25,10,14,24,34,3,21/E:(6,7)(9,10)/rA:37cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;d29;s30;d31;d28s32;s31;s34;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29NO6 |
All Atoms: | 66 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.717 |
Area: | 751.938 |
Solvation: | -7.08143 |
Coulombic: | -66.1063 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 499.554 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.8 |
LogP (Chemaxon): | 5.17 |
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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