Chemical ID: 6620825

CCOC(=O)Cc1ccc(cc1)Nc2c3ccccc3nc4c2c(nn4C)C
Chemical ID:
6620825
Name [?]:
None
SMILES [?]:
CCOC(=O)Cc1ccc(cc1)Nc2c3ccccc3nc4c2c(nn4C)C
InChi [?]:
InChI=1/C22H22N4O2/c1-4-28-19(27)13-15-9-11-16(12-10-15)23-21-17-7-5-6-8-18(17)24-22-20(21)14(2)25-26(22)3/h5-12H,4,13H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,27,2,17,18,16,19,8,12,9,11,6,24,7,10,15,20,4,23,14,22,13,21,25,26,5,3/E:(9,10)(11,12)/rA:28nCCOCOCCCCCCCNCCCCCCCNCCCNNCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;d14s22;s23;d24;s22s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3811
Area:592.112
Solvation:-3.42166
Coulombic:-40.9562
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.436
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):3.66

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Descriptor Annotations

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