Chemical ID: 3946399

CCC(C)(C)NC(=O)CN(Cc1ccccc1Cl)C(=O)c2csnn2
Chemical ID:
3946399
Name [?]:
N-[(2-chlorophenyl)methyl]-N-(1,1-dimethylpropylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)CN(Cc1ccccc1Cl)C(=O)c2csnn2
InChi [?]:
InChI=1/C17H21ClN4O2S/c1-4-17(2,3)19-15(23)10-22(16(24)14-11-25-21-20-14)9-12-7-5-6-8-13(12)18/h5-8,11H,4,9-10H2,1-3H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,14,15,13,16,11,9,22,12,17,21,7,19,3,18,6,25,24,10,8,20,23/E:(2,3)/rA:25nCCCCCNCOCNCCCCCCCClCOCCSNN/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s10;d19;s19;d21;s22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21ClN4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6449
Area:554.085
Solvation:-3.20726
Coulombic:-41.7825
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.893
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.52
LogP (Chemaxon):2.11

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