Chemical ID: 4848019

CCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4ccccc4
Chemical ID:
4848019
Name [?]:
None
SMILES [?]:
CCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCc4ccccc4
InChi [?]:
InChI=1/C22H21N5O2/c1-2-11-27-19(23)16(21(28)24-14-15-8-4-3-5-9-15)13-17-20(27)25-18-10-6-7-12-26(18)22(17)29/h3-10,12-13,23H,2,11,14H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,14,15,25,29,13,3,16,8,23,24,7,9,12,5,10,20,18,6,22,11,17,4,21,19/E:(4,5)(8,9)/rA:29nCCCNCNCCCCNCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;s4;w5;s5;d7;s8;s4d9;s10;d11;s12;d13;s14;d15;s12s16;s9s17;d18;s7;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N5O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.4043
Area:609.372
Solvation:-2.83003
Coulombic:-63.9349
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:387.435
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.37
LogP (Chemaxon):3.7

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Descriptor Annotations

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