Chemical ID: 7080202

CCCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
Chemical ID:
7080202
Name [?]:
None
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C27H31NO6/c1-4-5-6-9-15-33-21-13-12-18(17-22(21)32-3)24-23-25(29)19-10-7-8-11-20(19)34-26(23)27(30)28(24)14-16-31-2/h7-8,10-13,17,24H,4-6,9,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,15,2,3,4,22,23,5,21,24,10,9,31,6,32,12,11,20,25,8,13,17,16,18,27,28,30,19,29,33,14,7,26/rA:34cCCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO6
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.933
Area:730.394
Solvation:-7.3269
Coulombic:-58.3284
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.538
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.28
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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