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Chemical ID: 5416132
Chemical ID:
5416132
Name [?]:
N-(3-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)CSc2nnnn2c3ccccc3OC
InChi [?]:
InChI=1/C18H17N5O3S/c1-12(24)13-6-5-7-14(10-13)19-17(25)11-27-18-20-21-22-23(18)15-8-3-4-9-16(15)26-2/h3-10H,11H2,1-2H3,(H,19,25)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,6,5,7,21,24,9,13,2,4,8,20,25,11,15,10,16,17,18,19,3,12,26,14/rA:27nCCOCCCCCCNCOCSCNNNNCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N5O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32641 |
Area: | 599.149 |
Solvation: | -5.65232 |
Coulombic: | -40.6862 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 383.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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