Chemical ID: 7343080

CC(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cc(ccc4OC)OC
Chemical ID:
7343080
Name [?]:
None
SMILES [?]:
CC(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4cc(ccc4OC)OC
InChi [?]:
InChI=1/C25H27N3O3/c1-15(2)11-12-26-25(29)21-14-18-17-7-5-6-8-20(17)27-23(18)24(28-21)19-13-16(30-3)9-10-22(19)31-4/h5-10,13-15,27H,11-12H2,1-4H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,29,14,15,13,16,25,26,4,5,23,10,2,24,12,11,22,17,9,27,19,20,7,6,18,21,8,30,28/E:(1,2)/rA:31nCCCCCNCOCCCCCCCCCNCCNCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;d9s20;s20;s22;d23;s24;d25;d22s26;s27;s28;s24;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N3O3
All Atoms:58
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8155
Area:662.697
Solvation:-4.75191
Coulombic:-55.4401
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.5
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.49
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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