Chemical ID: 7080795

CCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
Chemical ID:
7080795
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C31H31NO5/c1-3-5-19-36-25-16-15-22(20-26(25)35-4-2)28-27-29(33)23-13-9-10-14-24(23)37-30(27)31(34)32(28)18-17-21-11-7-6-8-12-21/h6-16,20,28H,3-5,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,13,3,35,34,36,21,22,33,37,20,23,8,7,31,30,4,10,32,9,19,24,6,11,16,15,17,26,27,29,18,28,12,5,25/E:(7,8)(11,12)/rA:37cCCCCOCCCCCCOCCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H31NO5
All Atoms:68
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.8982
Area:776.433
Solvation:-6.51258
Coulombic:-51.9715
Bond Count [?]
All:41
Single:29
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:497.582
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.62
LogP (Chemaxon):5.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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