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Chemical ID: 7739097
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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