Chemical ID: 7739189

Cc1cccc2c1nc(s2)N(Cc3cccnc3)C(=O)Cc4ccccc4
Chemical ID:
7739189
Name [?]:
None
SMILES [?]:
Cc1cccc2c1nc(s2)N(Cc3cccnc3)C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H19N3OS/c1-16-7-5-11-19-21(16)24-22(27-19)25(15-18-10-6-12-23-14-18)20(26)13-17-8-3-2-4-9-17/h2-12,14H,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,4,15,3,23,27,14,5,16,21,18,12,2,22,13,6,19,7,9,17,8,11,20,10/E:(3,4)(8,9)/rA:27nCCCCCCCNCSNCCCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;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:10.1573
Area:572.513
Solvation:-4.15549
Coulombic:-27.658
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:3.54
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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