Chemical ID: 6305776

Cc1ccc(c(c1)C)NC(=O)c2c(c3c(cc(nc3s2)C(F)F)C)N
Chemical ID:
6305776
Name [?]:
9-amino-4-(difluoromethyl)-N-(2,4-dimethylphenyl)-2-methyl-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2c(c3c(cc(nc3s2)C(F)F)C)N
InChi [?]:
InChI=1/C18H17F2N3OS/c1-8-4-5-11(9(2)6-8)22-17(24)15-14(21)13-10(3)7-12(16(19)20)23-18(13)25-15/h4-7,16H,21H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,24,3,4,7,16,2,6,15,5,17,14,13,12,21,10,19,22,23,25,9,18,11,20/E:(19,20)/rA:25nCCCCCCCCNCOCCCCCCNCSCFFCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s21;s21;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F2N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.45589
Area:533.638
Solvation:-3.88506
Coulombic:-53.8101
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:361.41
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):4.09

Name Annotations

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Descriptor Annotations

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