Chemical ID: 4946443

Cc1c2ccnc(c2cc3c1n(c4c3cc(cc4)O)C)C(=O)NCCN(C)C
Chemical ID:
4946443
Name [?]:
None
SMILES [?]:
Cc1c2ccnc(c2cc3c1n(c4c3cc(cc4)O)C)C(=O)NCCN(C)C
InChi [?]:
InChI=1/C22H24N4O2/c1-13-15-7-8-23-20(22(28)24-9-10-25(2)3)17(15)12-18-16-11-14(27)5-6-19(16)26(4)21(13)18/h5-8,11-12,27H,9-10H2,1-4H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,20,17,18,4,5,24,25,15,9,2,16,3,14,8,10,13,7,11,21,6,23,26,12,19,22/E:(2,3)/rA:28nCCCCCNCCCCCNCCCCCCOCCONCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;d2s10;s11;s12;s10s13;d14;s15;d16;d13s17;s16;s12;s7;d21;s21;s23;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2849
Area:593.96
Solvation:-3.56405
Coulombic:-55.1064
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.452
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.02
LogP (Chemaxon):2.78

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Descriptor Annotations

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