Chemical ID: 6762776

CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc(cc5)OC
Chemical ID:
6762776
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc(cc5)OC
InChi [?]:
InChI=1/C27H23NO6/c1-3-33-22-14-17(10-13-20(22)29)24-23-25(30)19-6-4-5-7-21(19)34-26(23)27(31)28(24)15-16-8-11-18(32-2)12-9-16/h4-14,24,29H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,2,17,18,16,19,28,32,7,29,31,8,5,26,27,6,30,15,9,20,4,12,11,13,22,23,25,10,14,24,33,3,21/E:(8,9)(11,12)/rA:34cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO6
All Atoms:57
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:8.9755
Area:630.083
Solvation:-6.77658
Coulombic:-66.5277
Bond Count [?]
All:38
Single:26
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:457.475
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.98
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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