Chemical ID: 7080242

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)CCOC
Chemical ID:
7080242
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCCC(C)C)CCOC
InChi [?]:
InChI=1/C26H29NO5/c1-16(2)10-12-31-19-7-5-6-18(15-19)23-22-24(28)20-14-17(3)8-9-21(20)32-25(22)26(29)27(23)11-13-30-4/h5-9,14-16,23H,10-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:27,28,1,32,19,18,20,3,4,25,29,24,30,7,22,26,2,17,21,6,5,10,16,8,11,13,15,9,14,31,23,12/E:(1,2)/rA:32cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s26;s15;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO5
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.6953
Area:683.449
Solvation:-5.39096
Coulombic:-51.454
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.512
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):4.24

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Descriptor Annotations

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