Chemical ID: 7080192

CCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
Chemical ID:
7080192
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C24H25NO6/c1-4-29-18-11-10-15(14-19(18)30-5-2)21-20-22(26)16-8-6-7-9-17(16)31-23(20)24(27)25(21)12-13-28-3/h6-11,14,21H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,31,2,11,19,20,18,21,6,5,28,29,8,7,17,22,4,9,14,13,15,24,25,27,16,26,30,3,10,23/rA:31cCCOCCCCCCOCCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO6
All Atoms:56
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.04033
Area:651.653
Solvation:-7.251
Coulombic:-57.1755
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:423.458
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.64
LogP (Chemaxon):2.67

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Descriptor Annotations

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