Chemical ID: 4537128

CCCOc1ccc(cc1OC)C2C3=C(CC(CC3=O)c4ccc(c(c4)OC)OC)Nc5ccccc5N2
Chemical ID:
4537128
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OC)C2C3=C(CC(CC3=O)c4ccc(c(c4)OC)OC)Nc5ccccc5N2
InChi [?]:
InChI=1/C31H34N2O5/c1-5-14-38-27-13-11-20(18-29(27)37-4)31-30-24(32-22-8-6-7-9-23(22)33-31)15-21(16-25(30)34)19-10-12-26(35-2)28(17-19)36-3/h6-13,17-18,21,31-33H,5,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,28,12,2,34,35,33,36,22,7,23,6,3,16,18,26,9,21,8,17,32,37,15,19,24,5,25,10,14,13,31,38,20,29,27,11,4/rA:38cCCCOCCCCCCOCCCCCCCCOCCCCCCOCOCNCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;s16;s17;s14s18;d19;s17;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s15;s31;s32;d33;s34;d35;d32s36;s13s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:2
ZAP Information [?]
Total:9.59271
Area:755.321
Solvation:-9.29031
Coulombic:-59.8528
Bond Count [?]
All:42
Single:31
Double:11
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:514.612
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.25
LogP (Chemaxon):4.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue