Chemical ID: 7080085

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN(C)C)c4cccc(c4)Cl
Chemical ID:
7080085
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN(C)C)c4cccc(c4)Cl
InChi [?]:
InChI=1/C24H25ClN2O3/c1-14-11-18-19(12-15(14)2)30-23-20(22(18)28)21(16-7-5-8-17(25)13-16)27(24(23)29)10-6-9-26(3)4/h5,7-8,11-13,21H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,22,23,26,19,25,27,20,18,3,6,29,2,7,24,28,4,5,11,14,12,10,16,30,21,15,13,17,9/E:(3,4)/rA:30cCCCCCCCCOCCCOCNCOCCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s21;s14;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN2O3
All Atoms:55
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1391
Area:627.302
Solvation:-3.54346
Coulombic:-40.8959
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:424.92
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):4.14

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