Chemical ID: 7147263

Cc1cc([nH+]c2c1c(c(s2)C(=O)Nc3ccccc3OC)N)C(F)F
Chemical ID:
7147263
Name [?]:
7-amino-3-(difluoromethyl)-N-(2-methoxyphenyl)-5-methyl-9-thia-2-azoniabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
Cc1cc([nH+]c2c1c(c(s2)C(=O)Nc3ccccc3OC)N)C(F)F
InChi [?]:
InChI=1/C17H15F2N3O2S/c1-8-7-10(15(18)19)22-17-12(8)13(20)14(25-17)16(23)21-9-5-3-4-6-11(9)24-2/h3-7,15H,20H2,1-2H3,(H,21,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,21,16,17,15,18,3,2,14,4,19,7,8,9,23,11,6,24,25,22,13,5,12,20,10/E:(18,19)/rA:25nCCCCN+CCCCSCONCCCCCCOCNCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s8;s4;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16F2N3O2S+
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-23.3862
Area:529.756
Solvation:-36.6301
Coulombic:-44.8573
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.391
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.17
LogP (Chemaxon):3.55

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Descriptor Annotations

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