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Chemical ID: 7075491
Chemical ID:
7075491
Name [?]:
None
SMILES [?]:
CCCCN(CCCC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCC
InChi [?]:
InChI=1/C31H40N2O5/c1-5-8-17-32(18-9-6-2)19-12-20-33-28(22-15-16-25(37-7-3)26(21-22)36-4)27-29(34)23-13-10-11-14-24(23)38-30(27)31(33)35/h10-11,13-16,21,28H,5-9,12,17-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,38,35,2,8,37,3,7,20,21,11,19,22,29,30,4,6,10,12,33,28,18,23,31,32,15,14,16,25,26,5,13,17,27,34,36,24/E:(1,2)(5,6)(8,9)(17,18)/rA:38cCCCCNCCCCCCCNCCCOCCCCCCOCCOCCCCCCOCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s13s25;d26;s14;s28;d29;s30;d31;d28s32;s32;s34;s31;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H40N2O5 |
All Atoms: | 78 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.0239 |
Area: | 833.397 |
Solvation: | -6.81099 |
Coulombic: | -55.6122 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 520.66 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.32 |
LogP (Chemaxon): | 4.94 |
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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