Chemical ID: 5559385

CCc1nnc(s1)NC(=O)C(C(C)C)NC(=O)c2cccc(c2)C
Chemical ID:
5559385
Name [?]:
N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]-3-methyl-benzamide
SMILES [?]:
CCc1nnc(s1)NC(=O)C(C(C)C)NC(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C17H22N4O2S/c1-5-13-20-21-17(24-13)19-16(23)14(10(2)3)18-15(22)12-8-6-7-11(4)9-12/h6-10,14H,5H2,1-4H3,(H,18,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,13,14,24,2,20,21,19,23,12,22,18,3,11,16,9,6,15,8,4,5,17,10,7/E:(2,3)/rA:24cCCCNNCSNCOCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;s12;s12;s11;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:11.0763
Area:572.286
Solvation:-3.2309
Coulombic:-48.1247
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.448
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.55
LogP (Chemaxon):2.74

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Descriptor Annotations

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