Chemical ID: 7433649

CCc1c(c2cc3c(c(c2oc1=O)C)OCN(C3)Cc4ccc(cc4)OC)C
Chemical ID:
7433649
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(c(c2oc1=O)C)OCN(C3)Cc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C23H25NO4/c1-5-19-14(2)20-10-17-12-24(11-16-6-8-18(26-4)9-7-16)13-27-21(17)15(3)22(20)28-23(19)25/h6-10H,5,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,14,27,2,21,25,22,24,6,19,18,16,4,9,20,7,23,3,5,8,10,12,17,13,26,15,11/E:(6,7)(8,9)/rA:28cCCCCCCCCCCOCOCOCNCCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s9;s8;s15;s16;s7s17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO4
All Atoms:53
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.40206
Area:590.06
Solvation:-5.34943
Coulombic:-39.0101
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.449
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.18
LogP (Chemaxon):5.26

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