Chemical ID: 6004073

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)c3ccccc3C
Chemical ID:
6004073
Name [?]:
2-methyl-N-[2-methyl-1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)c3ccccc3C
InChi [?]:
InChI=1/C22H24N4O2S/c1-13(2)18(23-19(27)17-11-6-5-9-15(17)4)20(28)24-22-26-25-21(29-22)16-10-7-8-14(3)12-16/h5-13,18H,1-4H3,(H,23,27)(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:18,19,1,29,26,25,4,3,27,5,24,7,17,2,28,6,23,16,21,14,8,11,20,13,9,10,22,15,12/E:(1,2)/rA:29cCCCCCCCCNNCSNCOCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s17;s16;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.9229
Area:642.8
Solvation:-3.14713
Coulombic:-50.5099
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.518
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.41
LogP (Chemaxon):4.58

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Descriptor Annotations

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