Chemical ID: 4542088

c1ccc(cc1)CN2c3ccccc3C4(C2=O)N5C(CC(=N5)c6ccco6)c7ccccc7O4
Chemical ID:
4542088
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2c3ccccc3C4(C2=O)N5C(CC(=N5)c6ccco6)c7ccccc7O4
InChi [?]:
InChI=1/C28H21N3O3/c32-27-28(21-12-5-6-13-23(21)30(27)18-19-9-2-1-3-10-19)31-24(20-11-4-7-14-25(20)34-28)17-22(29-31)26-15-8-16-33-26/h1-16,24H,17-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,30,12,11,31,25,3,5,29,13,10,32,24,26,20,7,4,28,14,21,9,19,33,23,16,15,22,8,18,17,27,34/E:(2,3)(9,10)/rA:34cCCCCCCCNCCCCCCCCONCCCNCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s15;s18;s19;s20;s18d21;s21;d23;s24;d25;s23s26;s19;s28;d29;s30;d31;d28s32;s15s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:3
ZAP Information [?]
Total:12.18
Area:640.863
Solvation:-3.84155
Coulombic:-45.3819
Bond Count [?]
All:40
Single:27
Double:13
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:447.485
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.53
LogP (Chemaxon):5.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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