Chemical ID: 4573536

CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
Chemical ID:
4573536
Name [?]:
None
SMILES [?]:
CCC(C)N1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2c5cccc(c5OC)OC
InChi [?]:
InChI=1/C26H29N3O4/c1-5-15(2)28-14-22(30)29-20(26(28)31)13-18-16-9-6-7-11-19(16)27-23(18)24(29)17-10-8-12-21(32-3)25(17)33-4/h6-12,15,20,24,27H,5,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,33,31,2,17,18,26,16,25,19,27,13,6,3,15,24,14,20,10,28,7,22,23,29,11,21,5,9,8,12,32,30/rA:33cCCCCNCCONCCOCCCCCCCCNCCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d14s21;s9s22;s23;s24;d25;s26;d27;d24s28;s29;s30;s28;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:3
ZAP Information [?]
Total:10.02
Area:633.432
Solvation:-5.81579
Coulombic:-60.5192
Bond Count [?]
All:37
Single:28
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:447.526
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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