Chemical ID: 6551983

COc1cc(ccc1O)C=NNC(=O)CCNC(=O)c2ccccc2Cl
Chemical ID:
6551983
Name [?]:
2-chloro-N-[2-[(4-hydroxy-3-methoxy-phenyl)methyleneaminocarbamoyl]ethyl]benzamide
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H18ClN3O4/c1-26-16-10-12(6-7-15(16)23)11-21-22-17(24)8-9-20-18(25)13-4-2-3-5-14(13)19/h2-7,10-11,23H,8-9H2,1H3,(H,20,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,6,7,15,16,4,10,5,20,25,8,3,13,18,26,17,11,12,9,14,19,2/rA:26nCOCCCCCCOCNNCOCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.67581
Area:607.824
Solvation:-7.51979
Coulombic:-61.7619
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:375.806
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.46
LogP (Chemaxon):2.33

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