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Chemical ID: 7275649
Chemical ID:
7275649
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
InChi [?]:
InChI=1/C21H19N3O4/c1-13-4-2-5-15(10-13)22-19(25)12-28-21(27)14-7-8-16-17(11-14)23-18-6-3-9-24(18)20(16)26/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,27,3,5,28,16,17,26,7,20,11,2,15,6,18,19,22,9,24,13,8,21,23,10,25,14,12/rA:28nCCCCCCCNCOCOCOCCCCCCNCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;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: | 10.6244 |
Area: | 598.871 |
Solvation: | -4.34733 |
Coulombic: | -61.4798 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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