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Chemical ID: 6618572
Chemical ID:
6618572
Name [?]:
N-[2-chloro-5-(5-isopropylbenzooxazol-2-yl)-phenyl]-2,3,4,5,6-pentafluoro-benzamide
SMILES [?]:
CC(C)c1ccc2c(c1)nc(o2)c3ccc(c(c3)NC(=O)c4c(c(c(c(c4F)F)F)F)F)Cl
InChi [?]:
InChI=1/C23H14ClF5N2O2/c1-9(2)10-4-6-15-14(7-10)31-23(33-15)11-3-5-12(24)13(8-11)30-22(32)16-17(25)19(27)21(29)20(28)18(16)26/h3-9H,1-2H3,(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,14,5,15,6,9,18,2,4,13,16,17,8,7,22,23,27,24,26,25,20,11,33,32,28,31,29,30,19,10,21,12/E:(1,2)(17,18)(19,20)(25,26)(27,28)/rA:33nCCCCCCCCCNCOCCCCCCNCOCCCCCCFFFFFCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s7s11;s11;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s26;s25;s24;s23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H14ClF5N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80287 |
Area: | 649.136 |
Solvation: | -7.42551 |
Coulombic: | -49.0034 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 480.814 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.96 |
LogP (Chemaxon): | 6.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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