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Chemical ID: 6825907
Chemical ID:
6825907
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C31H29NO6/c1-18(2)11-12-35-22-6-4-5-21(15-22)28-27-29(33)23-13-19(3)7-9-24(23)38-30(27)31(34)32(28)16-20-8-10-25-26(14-20)37-17-36-25/h4-10,13-15,18,28H,11-12,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:27,28,1,19,18,20,3,31,4,32,25,24,7,35,22,29,37,26,2,30,17,21,6,5,33,34,10,16,8,11,13,15,9,14,23,38,36,12/E:(1,2)/rA:38cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s26;s15;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H29NO6 |
All Atoms: | 67 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9928 |
Area: | 708.686 |
Solvation: | -5.72435 |
Coulombic: | -60.5794 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 511.565 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.87 |
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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