Chemical ID: 5782713

Cc1cccc(c1)C(=O)N2CCc3c4ccccc4[nH]c3C2c5ccc6c(c5)OCO6
Chemical ID:
5782713
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCc3c4ccccc4[nH]c3C2c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C26H22N2O3/c1-16-5-4-6-18(13-16)26(29)28-12-11-20-19-7-2-3-8-21(19)27-24(20)25(28)17-9-10-22-23(14-17)31-15-30-22/h2-10,13-14,25,27H,11-12,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,15,18,24,25,12,11,7,28,30,2,23,6,14,13,19,26,27,21,22,8,20,10,9,31,29/rA:31cCCCCCCCCONCCCCCCCCCNCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s10s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9899
Area:597.589
Solvation:-3.94984
Coulombic:-47.2588
Bond Count [?]
All:36
Single:25
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:410.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.97
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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