Chemical ID: 7175784

Cc1cc(nc2c1c(c(s2)C(=O)N)NC(=O)c3cccc(c3OC)OC)C(F)F
Chemical ID:
7175784
Name [?]:
3-(difluoromethyl)-7-(2,3-dimethoxybenzoyl)amino-5-methyl-9-thia-2-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-8-carboxamide
SMILES [?]:
Cc1cc(nc2c1c(c(s2)C(=O)N)NC(=O)c3cccc(c3OC)OC)C(F)F
InChi [?]:
InChI=1/C19H17F2N3O4S/c1-8-7-10(16(20)21)23-19-12(8)13(15(29-19)17(22)25)24-18(26)9-5-4-6-11(27-2)14(9)28-3/h4-7,16H,1-3H3,(H2,22,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,24,19,18,20,3,2,17,4,21,7,8,22,9,27,11,15,6,28,29,13,5,14,12,16,25,23,10/E:(20,21)/rA:29nCCCCNCCCCSCONNCOCCCCCCOCOCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;d11;s11;s8;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s21;s25;s4;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F2N3O4S
All Atoms:46
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.5745
Area:574.894
Solvation:-8.79786
Coulombic:-74.5193
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.419
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.53
LogP (Chemaxon):2.73

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Descriptor Annotations

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