Chemical ID: 6009091

CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
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

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Descriptor Annotations

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