Chemical ID: 7253636

c1ccc(cc1)c2nc(cs2)CC(=O)Nc3nc4c(s3)CCCC4
Chemical ID:
7253636
Name [?]:
2-(2-phenylthiazol-4-yl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)acetamide
SMILES [?]:
c1ccc(cc1)c2nc(cs2)CC(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C18H17N3OS2/c22-16(21-18-20-14-8-4-5-9-15(14)24-18)10-13-11-23-17(19-13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,22,3,5,24,21,12,10,4,9,18,19,13,7,16,8,17,15,14,11,20/E:(2,3)(6,7)/rA:24nCCCCCCCNCCSCCONCNCCSCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3OS2
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0642
Area:561.17
Solvation:-3.96506
Coulombic:-30.4506
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.479
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.38
LogP (Chemaxon):4.28

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Descriptor Annotations

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