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Chemical ID: 7273146
Chemical ID:
7273146
Name [?]:
None
SMILES [?]:
CN(c1ccccc1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C21H19N3O4/c1-23(15-6-3-2-4-7-15)19(25)13-28-21(27)14-9-10-16-17(12-14)22-18-8-5-11-24(18)20(16)26/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,27,4,8,28,16,17,26,20,11,15,3,18,19,22,9,24,13,21,2,23,10,25,14,12/E:(3,4)(6,7)/rA:28nCNCCCCCCCOCOCOCCCCCCNCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s22;s18s23;d24;s23;s26;s22s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O4 |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4995 |
Area: | 597.849 |
Solvation: | -4.44669 |
Coulombic: | -57.1405 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 377.393 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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