Chemical ID: 7211480

Cc1c(c(nn1C(C)C(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)C(F)(F)F)Cl
Chemical ID:
7211480
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)Nn2c(nc3c(c2=O)c4c(s3)CCCC4)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H19ClF3N5O2S/c1-8-14(20)15(19(21,22)23)25-27(8)9(2)16(29)26-28-10(3)24-17-13(18(28)30)11-6-4-5-7-12(11)31-17/h9H,4-7H2,1-3H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,8,26,24,23,25,22,2,7,13,19,20,16,3,4,9,15,17,27,31,28,29,30,14,5,11,6,12,10,18,21/E:(21,22,23)/rA:31cCCCCNNCCCONNCNCCCOCCSCCCCCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s20;s22;s23;s19s24;s13;s4;s27;s27;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClF3N5O2S
All Atoms:50
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9522
Area:627.385
Solvation:-4.7324
Coulombic:-59.8725
Bond Count [?]
All:34
Single:27
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:473.901
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.06
LogP (Chemaxon):2.64

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Descriptor Annotations

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