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Chemical ID: 7211480
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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