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Chemical ID: 4234490
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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