Chemical ID: 3964509

c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N
Chemical ID:
3964509
Name [?]:
None
SMILES [?]:
c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N
InChi [?]:
InChI=1/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,10,26,27,4,5,13,12,30,7,32,20,18,24,22,25,3,28,19,6,8,14,9,29,15,33,21,17,23,11,16,31/rA:33cCCCCCCCCCCNCCCCONCCCNCNCCCCCCCOCN/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;s12;s13;s11s14;d15;s14;s17;s18;d19;s20;d21;s19s22;s23;s24;s25;d26;s27;d28;d25s29;s6s29;s28;t32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21N5O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.73706
Area:568.964
Solvation:-4.48704
Coulombic:-47.5624
Bond Count [?]
All:38
Single:26
Double:11
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:435.477
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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