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Chemical ID: 7739189
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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Experimental Annotations
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Descriptor Annotations
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