Chemical ID: 4559491

CCCCCCCCCCCCNc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)NC(=O)C
Chemical ID:
4559491
Name [?]:
None
SMILES [?]:
CCCCCCCCCCCCNc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)NC(=O)C
InChi [?]:
InChI=1/C33H48N2O5/c1-6-7-8-9-10-11-12-13-14-15-20-34-28-19-17-25-26(22-29(28)37)27(35-23(2)36)18-16-24-21-30(38-3)32(39-4)33(40-5)31(24)25/h17,19,21-22,27H,6-16,18,20H2,1-5H3,(H,34,37)(H,35,36)
InChi Info:
AuxInfo=1/1/N:1,40,32,34,36,2,3,4,5,6,7,8,9,10,11,24,16,23,15,12,30,19,38,25,17,18,22,14,20,29,26,28,27,13,37,39,21,31,33,35/rA:40cCCCCCCCCCCCCNCCCCCCCOCCCCCCCCCOCOCOCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;s17;d18;s14s19;d20;s18;s22;s23;s24;s17s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s27;s35;s22;s37;d38;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H48N2O5
All Atoms:40
Heavy Atoms:40
Chiral Atoms:1
ZAP Information [?]
Total:15.2187
Area:875.303
Solvation:-6.66388
Coulombic:-66.5558
Bond Count [?]
All:42
Single:34
Double:8
Rotors:17
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:552.745
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:7.56
LogP (Chemaxon):5.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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