Chemical ID: 3946266

CCC(C)(C)NC(=O)CN(c1ccc(cc1)C(=O)C)C(=O)c2csnn2
Chemical ID:
3946266
Name [?]:
N-(4-acetylphenyl)-N-(1,1-dimethylpropylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
CCC(C)(C)NC(=O)CN(c1ccc(cc1)C(=O)C)C(=O)c2csnn2
InChi [?]:
InChI=1/C18H22N4O3S/c1-5-18(3,4)19-16(24)10-22(17(25)15-11-26-21-20-15)14-8-6-13(7-9-14)12(2)23/h6-9,11H,5,10H2,1-4H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,2,13,15,12,16,9,23,17,14,11,22,7,20,3,6,26,25,10,18,8,21,24/E:(3,4)(6,7)(8,9)/rA:26nCCCCCNCOCNCCCCCCCOCCOCCSNN/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s10;d20;s20;d22;s23;s24;s22d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.94332
Area:567.096
Solvation:-4.23408
Coulombic:-47.2158
Bond Count [?]
All:27
Single:19
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:374.458
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.59
LogP (Chemaxon):0.81

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue