Chemical ID: 4234490

c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(cc3Cl)Cl)F
Chemical ID:
4234490
Name [?]:
2,4-dichloro-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1cc(ccc1Cc2cnc(s2)NC(=O)c3ccc(cc3Cl)Cl)F
InChi [?]:
InChI=1/C17H11Cl2FN2OS/c18-11-3-6-14(15(19)8-11)16(23)22-17-21-9-13(24-17)7-10-1-4-12(20)5-2-10/h1-6,8-9H,7H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,17,7,20,9,6,19,3,8,16,21,14,11,23,22,24,10,13,15,12/E:(1,2)(4,5)/rA:24nCCCCCCCCCNCSNCOCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl2FN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0004
Area:567.278
Solvation:-4.18155
Coulombic:-31.1135
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.252
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.35
LogP (Chemaxon):5.22

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Descriptor Annotations

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