Chemical ID: 6003243

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cc(cc(c2)Cl)Cl
Chemical ID:
6003243
Name [?]:
3,5-dichloro-N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O2S/c1-11(2)4-5-23(9-16(24)22-18-21-12(3)10-26-18)17(25)13-6-14(19)8-15(20)7-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:15,16,1,13,12,20,24,22,10,3,14,2,19,21,23,8,17,5,26,25,6,7,11,9,18,4/E:(1,2)(6,7)(14,15)(19,20)/rA:26nCCCSCNNCOCNCCCCCCOCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21Cl2N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9681
Area:626.81
Solvation:-3.70214
Coulombic:-43.6147
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.53
LogP (Chemaxon):4.28

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Descriptor Annotations

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