Chemical ID: 6003221

Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cccc(c2)Br
Chemical ID:
6003221
Name [?]:
3-bromo-N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C18H22BrN3O2S/c1-12(2)7-8-22(17(24)14-5-4-6-15(19)9-14)10-16(23)21-18-20-13(3)11-25-18/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:15,16,1,21,20,22,13,12,24,10,3,14,2,19,23,8,17,5,25,6,7,11,9,18,4/E:(1,2)/rA:25nCCCSCNNCOCNCCCCCCOCCCCCCBr/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22BrN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2606
Area:598.228
Solvation:-3.69512
Coulombic:-43.5417
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.356
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):4.03

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