Chemical ID: 5537838

Cc1ccc(cc1)CNC(=O)CSc2nc3ccc(cc3s2)NC(=O)C
Chemical ID:
5537838
Name [?]:
N-[2-(p-tolylmethylcarbamoylmethylsulfanyl)benzothiazol-6-yl]acetamide
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CSc2nc3ccc(cc3s2)NC(=O)C
InChi [?]:
InChI=1/C19H19N3O2S2/c1-12-3-5-14(6-4-12)10-20-18(24)11-25-19-22-16-8-7-15(21-13(2)23)9-17(16)26-19/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,4,6,18,17,20,8,12,2,24,5,19,16,21,10,14,9,23,15,25,11,13,22/E:(3,4)(5,6)/rA:26nCCCCCCCCNCOCSCNCCCCCCSNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9459
Area:628.966
Solvation:-3.77827
Coulombic:-47.0194
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.505
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.61
LogP (Chemaxon):3.91

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Descriptor Annotations

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