Chemical ID: 4132879

CCCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCc4ccccc4
Chemical ID:
4132879
Name [?]:
None
SMILES [?]:
CCCn1c(=N)c(cc2c1nc3c(cccn3c2=O)C)C(=O)NCc4ccccc4
InChi [?]:
InChI=1/C23H23N5O2/c1-3-11-27-19(24)17(22(29)25-14-16-9-5-4-6-10-16)13-18-21(27)26-20-15(2)8-7-12-28(20)23(18)30/h4-10,12-13,24H,3,11,14H2,1-2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,20,2,28,27,29,15,14,26,30,3,16,8,24,13,25,7,9,5,12,10,21,18,6,23,11,4,17,22,19/E:(5,6)(9,10)/rA:30nCCCNCNCCCCNCCCCCNCOCCONCCCCCCC/rB:s1;s2;s3;s4;w5;s5;d7;s8;s4d9;s10;d11;s12;d13;s14;d15;s12s16;s9s17;d18;s13;s7;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N5O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7634
Area:620.856
Solvation:-2.75802
Coulombic:-64.0015
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:401.461
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.52
LogP (Chemaxon):4.17

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Experimental Annotations

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Descriptor Annotations

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