Chemical ID: 5245593

Cc1c2ccncc2c(c3c1n(c4c3cccc4)C)CNC(=O)C(Cc5c[nH]c6c5cccc6)N
Chemical ID:
5245593
Name [?]:
None
SMILES [?]:
Cc1c2ccncc2c(c3c1n(c4c3cccc4)C)CNC(=O)C(Cc5c[nH]c6c5cccc6)N
InChi [?]:
InChI=1/C29H27N5O/c1-17-19-11-12-31-15-22(19)23(27-21-8-4-6-10-26(21)34(2)28(17)27)16-33-29(35)24(30)13-18-14-32-25-9-5-3-7-20(18)25/h3-12,14-15,24,32H,13,16,30H2,1-2H3,(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,19,32,16,33,17,31,15,34,18,4,5,25,27,7,20,2,26,3,30,14,8,9,24,29,13,10,11,22,35,6,28,21,12,23/rA:35cCCCCCNCCCCCNCCCCCCCCNCOCCCCNCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s12;s9;s20;s21;d22;s22;s24;s25;d26;s27;s28;s26s29;d30;s31;d32;d29s33;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27N5O
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.036
Area:685.764
Solvation:-4.10811
Coulombic:-55.8854
Bond Count [?]
All:40
Single:27
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:461.558
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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