Chemical ID: 7275649

Cc1cccc(c1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
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

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