Chemical ID: 5926959

c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4ccccc4Br
Chemical ID:
5926959
Name [?]:
2-bromo-N-cyclohexyl-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]benzamide
SMILES [?]:
c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4ccccc4Br
InChi [?]:
InChI=1/C24H25BrN4O2S/c25-20-14-8-7-13-19(20)23(31)29(18-11-5-2-6-12-18)16-15-21(30)26-24-28-27-22(32-24)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,26,28,30)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,28,29,3,5,19,23,27,30,15,16,4,18,26,31,13,7,24,10,32,12,8,9,17,14,25,11/E:(3,4)(5,6)(9,10)(11,12)/rA:32nCCCCCCCNNCSNCOCCNCCCCCCCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s17;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25BrN4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.7563
Area:699.63
Solvation:-3.73445
Coulombic:-44.7592
Bond Count [?]
All:35
Single:25
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:513.451
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.28
LogP (Chemaxon):5.05

Name Annotations

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Descriptor Annotations

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