Chemical ID: 5680230

Cc1cc2c(cc1C)N=C3CC(CC(=C3C(N2)c4cccc5c4cccc5)O)(C)C
Chemical ID:
5680230
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)N=C3CC(CC(=C3C(N2)c4cccc5c4cccc5)O)(C)C
InChi [?]:
InChI=1/C27H28N2O/c1-16-12-21-22(13-17(16)2)29-26(20-11-7-9-18-8-5-6-10-19(18)20)25-23(28-21)14-27(3,4)15-24(25)30/h5-13,26,29-30H,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:8,1,29,30,26,25,20,27,21,24,19,6,3,11,13,7,2,22,23,18,5,4,10,14,15,16,12,9,17,28/E:(3,4)/rA:30cCCCCCCCCNCCCCCCCNCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s12;s13;s10d14;s15;s4s16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s14;s12;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.007
Area:578.654
Solvation:-2.45934
Coulombic:-35.6726
Bond Count [?]
All:34
Single:24
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:396.524
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.88
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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