Chemical ID: 7213566

Cc1cc(nc2c1c(c(s2)C(=O)Nc3ccc(cc3Cl)Cl)N)C(F)(F)Cl
Chemical ID:
7213566
Name [?]:
7-amino-3-(chloro-difluoro-methyl)-N-(2,4-dichlorophenyl)-5-methyl-9-thia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
Cc1cc(nc2c1c(c(s2)C(=O)Nc3ccc(cc3Cl)Cl)N)C(F)(F)Cl
InChi [?]:
InChI=1/C16H10Cl3F2N3OS/c1-6-4-10(16(19,20)21)24-15-11(6)12(22)13(26-15)14(25)23-9-3-2-7(17)5-8(9)18/h2-5H,22H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,16,15,3,18,2,17,19,14,4,7,8,9,11,6,23,21,20,26,24,25,22,13,5,12,10/E:(20,21)/rA:26nCCCCNCCCCSCONCCCCCCClClNCFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s8;s4;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl3F2N3OS
All Atoms:36
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.181
Area:590.603
Solvation:-2.58407
Coulombic:-58.4728
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:436.691
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):5.2

Name Annotations

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Descriptor Annotations

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