Chemical ID: 7739097

Cc1ccc2c(c1)sc(n2)N(Cc3cccnc3)C(=O)Cc4ccccc4
Chemical ID:
7739097
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)sc(n2)N(Cc3cccnc3)C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H19N3OS/c1-16-9-10-19-20(12-16)27-22(24-19)25(15-18-8-5-11-23-14-18)21(26)13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,23,27,14,3,4,16,7,21,18,12,2,22,13,5,6,19,9,17,10,11,20,8/E:(3,4)(6,7)/rA:27nCCCCCCCSCNNCCCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3OS
All Atoms:46
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:10.8689
Area:580.446
Solvation:-3.64222
Coulombic:-28.2874
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.75
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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