Chemical ID: 4898994

CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
Chemical ID:
4898994
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccco5
InChi [?]:
InChI=1/C28H27NO6/c1-17(2)12-14-34-22-11-10-18(15-23(22)32-3)25-24-26(30)20-8-4-5-9-21(20)35-27(24)28(31)29(25)16-19-7-6-13-33-19/h4-11,13,15,17,25H,12,14,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,21,22,33,32,20,23,9,8,4,34,5,11,30,2,10,31,19,24,7,12,16,15,17,26,27,29,18,28,13,35,6,25/E:(1,2)/rA:35cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.79279
Area:714.898
Solvation:-8.07966
Coulombic:-55.9473
Bond Count [?]
All:39
Single:28
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:473.517
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.25
LogP (Chemaxon):4.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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