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Chemical ID: 7153712
Chemical ID:
7153712
Name [?]:
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-furylcarbonyl)piperazin-1-yl]-propan-1-one
SMILES [?]:
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)CCn3c(c(c(n3)C(F)(F)F)Cl)C4CC4
InChi [?]:
InChI=1/C19H20ClF3N4O3/c20-15-16(12-3-4-12)27(24-17(15)19(21,22)23)6-5-14(28)25-7-9-26(10-8-25)18(29)13-2-1-11-30-13/h1-2,11-12H,3-10H2
InChi Info:
AuxInfo=1/0/N:1,2,29,30,16,17,10,12,9,13,5,28,3,14,20,19,21,6,23,27,24,25,26,22,11,8,18,15,7,4/E:(3,4)(7,8)(9,10)(21,22,23)/rA:30nCCCOCCONCCNCCCOCCNCCCNCFFFClCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s18;d19;s20;s18d21;s21;s23;s23;s23;s20;s19;s28;s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClF3N4O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.45 |
Area: | 628.667 |
Solvation: | -4.2667 |
Coulombic: | -64.9897 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 444.835 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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