Chemical ID: 7273146

CN(c1ccccc1)C(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCC4
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

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Descriptor Annotations

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