Chemical ID: 7079296

CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN5CCOCC5)Cl
Chemical ID:
7079296
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN5CCOCC5)Cl
InChi [?]:
InChI=1/C27H29ClN2O5/c1-2-13-34-20-6-3-5-18(16-20)24-23-25(31)21-17-19(28)7-8-22(21)35-26(23)27(32)30(24)10-4-9-29-11-14-33-15-12-29/h3,5-8,16-17,24H,2,4,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,27,8,6,18,19,28,26,30,34,3,31,33,10,16,9,17,5,15,20,12,11,13,22,23,35,29,25,14,24,32,4,21/E:(11,12)(14,15)/rA:35cCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCOCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;s30;s31;s32;s29s33;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29ClN2O5
All Atoms:64
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.464
Area:749.046
Solvation:-6.26216
Coulombic:-55.4315
Bond Count [?]
All:39
Single:30
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:496.982
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.55
LogP (Chemaxon):3.42

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