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Chemical ID: 4570125
Chemical ID:
4570125
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)F)NC(=O)N3CC4CC(C3)c5cccc(=O)n5C4
InChi [?]:
InChI=1/C27H27FN4O3/c28-21-9-11-22(12-10-21)29-26(34)23(14-18-5-2-1-3-6-18)30-27(35)31-15-19-13-20(17-31)24-7-4-8-25(33)32(24)16-19/h1-12,19-20,23H,13-17H2,(H,29,34)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,2,6,30,3,5,29,31,14,16,13,17,25,7,23,35,27,4,24,26,15,12,8,28,32,9,20,18,11,19,22,34,33,10,21/E:(2,3)(5,6)(9,10)(11,12)/rA:35cCCCCCCCCCONCCCCCCFNCONCCCCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s8;s19;d20;s20;s22;s23;s24;s25;s22s26;s26;d28;s29;d30;s31;d32;s28s32;s24s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H27FN4O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.3862 |
Area: | 646.775 |
Solvation: | -5.78314 |
Coulombic: | -70.8538 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 474.527 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.29 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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