Chemical ID: 3945932

CCC(C)(C)NC(=O)CN(c1cccc(c1)C)C(=O)c2csnn2
Chemical ID:
3945932
Name [?]:
N-(1,1-dimethylpropylcarbamoylmethyl)-N-(m-tolyl)thiadiazole-4-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)CN(c1cccc(c1)C)C(=O)c2csnn2
InChi [?]:
InChI=1/C17H22N4O2S/c1-5-17(3,4)18-15(22)10-21(13-8-6-7-12(2)9-13)16(23)14-11-24-20-19-14/h6-9,11H,5,10H2,1-4H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,17,4,5,2,13,14,12,16,9,21,15,11,20,7,18,3,6,24,23,10,8,19,22/E:(3,4)/rA:24nCCCCCNCOCNCCCCCCCCOCCSNN/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s10;d18;s18;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.1063
Area:531.18
Solvation:-3.17315
Coulombic:-40.5639
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:346.448
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.19
LogP (Chemaxon):1.97

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