Chemical ID: 4573750

CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)Cc5ccco5
Chemical ID:
4573750
Name [?]:
None
SMILES [?]:
CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)Cc5ccco5
InChi [?]:
InChI=1/C20H19N3O3/c1-12-19-15(14-6-2-3-7-16(14)21-19)9-17-20(25)22(11-18(24)23(12)17)10-13-5-4-8-26-13/h2-8,12,17,21H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,24,23,6,9,25,12,21,17,2,22,5,4,10,13,15,3,19,11,18,14,16,20,26/rA:26cCCCCCCCCCCNCCNCOCNCOCCCCCO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13s18;d19;s18;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:9.48703
Area:527.216
Solvation:-3.69336
Coulombic:-51.8237
Bond Count [?]
All:30
Single:22
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:349.383
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.3
LogP (Chemaxon):1.6

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Descriptor Annotations

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