Chemical ID: 4575864

CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)CCCOC
Chemical ID:
4575864
Name [?]:
None
SMILES [?]:
CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)CCCOC
InChi [?]:
InChI=1/C19H23N3O3/c1-12-18-14(13-6-3-4-7-15(13)20-18)10-16-19(24)21(8-5-9-25-2)11-17(23)22(12)16/h3-4,6-7,12,16,20H,5,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,7,8,22,6,9,21,23,12,17,2,5,4,10,13,15,3,19,11,18,14,16,20,24/rA:25cCCCCCCCCCCNCCNCOCNCOCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13s18;d19;s18;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.08402
Area:543.584
Solvation:-4.50557
Coulombic:-52.2474
Bond Count [?]
All:28
Single:22
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.404
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.06
LogP (Chemaxon):0.76

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Descriptor Annotations

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