Chemical ID: 4565059

CC1(c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)Cc5ccco5)C
Chemical ID:
4565059
Name [?]:
None
SMILES [?]:
CC1(c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)Cc5ccco5)C
InChi [?]:
InChI=1/C21H21N3O3/c1-21(2)19-15(14-7-3-4-8-16(14)22-19)10-17-20(26)23(12-18(25)24(17)21)11-13-6-5-9-27-13/h3-9,17,22H,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,7,8,24,23,6,9,25,12,21,17,22,5,4,10,13,15,3,19,2,11,18,14,16,20,26/E:(1,2)/rA:27cCCCCCCCCCCNCCNCOCNCOCCCCCOC/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;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.78741
Area:533.862
Solvation:-3.55914
Coulombic:-52.0812
Bond Count [?]
All:31
Single:23
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:363.41
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.41
LogP (Chemaxon):1.68

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Descriptor Annotations

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