Chemical ID: 5378534

Cc1cc(cc(c1)NC(=O)CSc2nnnn2c3ccc(cc3)OC)C
Chemical ID:
5378534
Name [?]:
N-(3,5-dimethylphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CSc2nnnn2c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C18H19N5O2S/c1-12-8-13(2)10-14(9-12)19-17(24)11-26-18-20-21-22-23(18)15-4-6-16(25-3)7-5-15/h4-10H,11H2,1-3H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,19,23,20,22,3,7,5,11,2,4,6,18,21,9,13,8,14,15,16,17,10,24,12/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:26nCCCCCCCNCOCSCNNNNCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8593
Area:594.701
Solvation:-4.0082
Coulombic:-33.7291
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):3.93

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