Chemical ID: 7693204

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)C4CCCC4
Chemical ID:
7693204
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccco3)S2)C4CCCC4
InChi [?]:
InChI=1/C19H18N2O2S/c22-18-17(13-16-11-6-12-23-16)24-19(20-14-7-2-1-3-8-14)21(18)15-9-4-5-10-15/h1-3,6-8,11-13,15H,4-5,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,16,3,5,21,24,15,17,13,4,20,14,12,10,8,7,9,11,18,19/E:(2,3)(4,5)(7,8)(9,10)/rA:24nCCCCCCNCNCOCCCCCCOSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;s9;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.91424
Area:501.56
Solvation:-2.62475
Coulombic:-32.1985
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.19
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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