Chemical ID: 7080491

CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080491
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C28H33NO6/c1-4-6-9-17-34-22-14-13-19(18-23(22)33-5-2)25-24-26(30)20-11-7-8-12-21(20)35-27(24)28(31)29(25)15-10-16-32-3/h7-8,11-14,18,25H,4-6,9-10,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,35,2,14,3,22,23,4,32,21,24,9,8,31,33,5,11,10,20,25,7,12,17,16,18,27,28,30,19,29,34,13,6,26/rA:35cCCCCCOCCCCCCOCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33NO6
All Atoms:68
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.2058
Area:764.476
Solvation:-7.90614
Coulombic:-57.7267
Bond Count [?]
All:38
Single:29
Double:9
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.565
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.49
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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