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Chemical ID: 4946443
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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