Chemical ID: 6001393

CCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2cccc(c2)Br
Chemical ID:
6001393
Name [?]:
3-bromo-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2cccc(c2)Br
InChi [?]:
InChI=1/C16H18BrN3O2S/c1-3-7-20(15(22)12-5-4-6-13(17)8-12)10-14(21)19-16-18-9-11(2)23-16/h4-6,8-9H,3,7,10H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,2,19,18,20,3,22,11,5,12,17,21,6,15,9,23,10,8,4,7,16,13/rA:23nCCCNCCONCNCCSCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s4;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18BrN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.969
Area:557.538
Solvation:-3.96945
Coulombic:-42.8733
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.303
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.31
LogP (Chemaxon):3.13

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