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Chemical ID: 5940488
Chemical ID:
5940488
Name [?]:
N-[4-[2-(2,5-dichlorophenyl)aminothiazol-4-yl]phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)c2csc(n2)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C19H17Cl2N3OS/c1-2-3-18(25)22-14-7-4-12(5-8-14)17-11-26-19(24-17)23-16-10-13(20)6-9-15(16)21/h4-11H,2-3H2,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,11,22,8,12,23,20,14,10,21,7,24,19,13,4,16,26,25,6,18,17,5,15/E:(4,5)(7,8)/rA:26nCCCCONCCCCCCCCSCNNCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17Cl2N3OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8978 |
Area: | 626.685 |
Solvation: | -2.76927 |
Coulombic: | -39.5423 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.329 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.39 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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