Chemical ID: 5416132

CC(=O)c1cccc(c1)NC(=O)CSc2nnnn2c3ccccc3OC
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

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