Chemical ID: 7075491

CCCCN(CCCC)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCC
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

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Experimental Annotations

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Descriptor Annotations

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