Chemical ID: 4107189

Cc1coc(n1)NC(=O)c2c(c3c(cc(nc3s2)c4ccncc4)C(F)(F)F)N
Chemical ID:
4107189
Name [?]:
9-amino-N-(4-methyloxazol-2-yl)-4-(4-pyridyl)-2-(trifluoromethyl)-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
Cc1coc(n1)NC(=O)c2c(c3c(cc(nc3s2)c4ccncc4)C(F)(F)F)N
InChi [?]:
InChI=1/C18H12F3N5O2S/c1-8-7-28-17(24-8)26-15(27)14-13(22)12-10(18(19,20)21)6-11(25-16(12)29-14)9-2-4-23-5-3-9/h2-7H,22H2,1H3,(H,24,26,27)
InChi Info:
AuxInfo=1/1/N:1,20,24,21,23,14,3,2,19,13,15,12,11,10,8,17,5,25,26,27,28,29,22,6,16,7,9,4,18/E:(2,3)(4,5)(19,20,21)/rA:29nCCCOCNNCOCCCCCCNCSCCCNCCCFFFN/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;s19;d20;s21;d22;d19s23;s13;s25;s25;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12F3N5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.36308
Area:576.556
Solvation:-5.05081
Coulombic:-77.2096
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:419.382
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.7
LogP (Chemaxon):3.5

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Descriptor Annotations

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