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Chemical ID: 4824601
Chemical ID:
4824601
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2Nc3c(c4c(s3)CN(CC4)C)C(=O)N2
InChi [?]:
InChI=1/C17H19N3OS/c1-10-5-3-4-6-11(10)15-18-16(21)14-12-7-8-20(2)9-13(12)22-17(14)19-15/h3-6,15,19H,7-9H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,18,17,15,2,7,12,13,11,8,20,10,22,9,16,21,14/rA:22cCCCCCCCCNCCCCSCNCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;s10s13;s13;s15;s16;s12s17;s16;s11;d20;s8s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.0923 |
Area: | 486.179 |
Solvation: | -2.06216 |
Coulombic: | -40.0583 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 313.418 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.74 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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