Chemical ID: 7432324

CCc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3)I
Chemical ID:
7432324
Name [?]:
2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-iodophenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3)I
InChi [?]:
InChI=1/C17H16IN5OS/c1-2-12-3-9-15(10-4-12)23-17(20-21-22-23)25-11-16(24)19-14-7-5-13(18)6-8-14/h3-10H,2,11H2,1H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,21,23,20,24,5,7,15,3,22,19,6,16,10,25,18,11,12,13,9,17,14/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCNCNNNSCCONCCCCCCI/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s10;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16IN5OS
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.7112
Area:608.992
Solvation:-2.51365
Coulombic:-28.0125
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:465.312
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):5.11

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Descriptor Annotations

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