Chemical ID: 4571314

c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)Nc4ccc5c(c4)OCCO5
Chemical ID:
4571314
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)Nc4ccc5c(c4)OCCO5
InChi [?]:
InChI=1/C20H21N3O4/c24-19-3-1-2-16-14-8-13(11-23(16)19)10-22(12-14)20(25)21-15-4-5-17-18(9-15)27-7-6-26-17/h1-5,9,13-14H,6-8,10-12H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,7,19,20,26,25,10,23,14,8,12,9,11,18,3,21,22,5,15,17,13,4,6,16,27,24/rA:27cCCCNCOCCCCCCNCCONCCCCCCOCCO/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.38042
Area:524.308
Solvation:-4.72727
Coulombic:-60.9521
Bond Count [?]
All:31
Single:24
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:367.399
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.6
LogP (Chemaxon):1.22

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