Chemical ID: 4824601

Cc1ccccc1C2Nc3c(c4c(s3)CN(CC4)C)C(=O)N2
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

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Descriptor Annotations

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