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Chemical ID: 6009091
Chemical ID:
6009091
Name [?]:
3,4-dichloro-N-hexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O2S/c1-2-3-4-5-9-23(12-16(24)22-18-21-8-10-26-18)17(25)13-6-7-14(19)15(20)11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,20,21,14,6,15,24,8,19,22,23,9,17,12,26,25,13,11,7,10,18,16/rA:26nCCCCCCNCCONCNCCSCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21Cl2N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8692 |
Area: | 643.612 |
Solvation: | -4.22114 |
Coulombic: | -43.7691 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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