Chemical ID: 4568085

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OCC(=O)c4c(n(c5c4cccc5)C)C
Chemical ID:
4568085
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OCC(=O)c4c(n(c5c4cccc5)C)C
InChi [?]:
InChI=1/C27H23NO5/c1-15-24(32-14-23(29)25-16(2)28(3)22-8-6-5-7-20(22)25)12-11-19-18-10-9-17(31-4)13-21(18)27(30)33-26(15)19/h5-13H,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,32,18,29,30,28,31,14,13,5,4,16,20,2,24,15,12,6,27,11,26,21,3,23,7,9,25,22,10,17,19,8/rA:33nCCCCCCCOCOCCCCCCOCOCCOCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;s20;d21;s21;d23;s24;s25;s23s26;d27;s28;d29;d26s30;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.37342
Area:650.347
Solvation:-6.88524
Coulombic:-46.6006
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.475
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.43
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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