Chemical ID: 6008734

c1cc(cc(c1)Br)C(=O)N(CC2CC2)CC(=O)Nc3nccs3
Chemical ID:
6008734
Name [?]:
3-bromo-N-(cyclopropylmethyl)-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
c1cc(cc(c1)Br)C(=O)N(CC2CC2)CC(=O)Nc3nccs3
InChi [?]:
InChI=1/C16H16BrN3O2S/c17-13-3-1-2-12(8-13)15(22)20(9-11-4-5-11)10-14(21)19-16-18-6-7-23-16/h1-3,6-8,11H,4-5,9-10H2,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,21,22,4,11,15,12,3,5,16,8,19,7,20,18,10,17,9,23/E:(4,5)/rA:23nCCCCCCBrCONCCCCCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s12s13;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16BrN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.61672
Area:549.204
Solvation:-4.11337
Coulombic:-42.6732
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.287
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.42
LogP (Chemaxon):3.03

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Descriptor Annotations

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