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Chemical ID: 5646488
Chemical ID:
5646488
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5cccc(c5)F
InChi [?]:
InChI=1/C29H23FN2O3/c30-22-12-6-13-23(19-22)31(26(33)18-20-8-2-1-3-9-20)16-7-17-32-28(34)24-14-4-10-21-11-5-15-25(27(21)24)29(32)35/h1-6,8-15,19H,7,16-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,25,31,12,3,5,20,26,32,30,18,24,11,13,7,34,4,21,33,29,17,23,8,22,15,27,35,10,14,9,16,28/E:(2,3)(4,5)(8,9)(10,11)(14,15)(24,25)(28,29)(34,35)/rA:35nCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s14s23;d27;s10;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H23FN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6101 |
Area: | 690.962 |
Solvation: | -4.66398 |
Coulombic: | -49.05 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 466.503 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.66 |
LogP (Chemaxon): | 4.63 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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