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Chemical ID: 4559491
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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