Chemical ID: 3890260

CC(=O)c1cccc(c1)NC(=O)CSc2nnnn2c3cc(ccc3OC)OC
Chemical ID:
3890260
Name [?]:
N-(3-acetylphenyl)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)CSc2nnnn2c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C19H19N5O4S/c1-12(25)13-5-4-6-14(9-13)20-18(26)11-29-19-21-22-23-24(19)16-10-15(27-2)7-8-17(16)28-3/h4-10H,11H2,1-3H3,(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,29,27,6,5,7,23,24,9,21,13,2,4,8,22,20,25,11,15,10,16,17,18,19,3,12,28,26,14/rA:29nCCOCCCCCCNCOCSCNNNNCCCCCCOCOC/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;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N5O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.81857
Area:636.734
Solvation:-7.0998
Coulombic:-46.2995
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:413.451
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):2.05

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Descriptor Annotations

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