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Chemical ID: 5612889
Chemical ID:
5612889
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C29H23ClN2O3/c1-19-9-15-23(16-10-19)31(27(33)21-11-13-22(30)14-12-21)17-4-18-32-28(34)24-7-2-5-20-6-3-8-25(26(20)24)29(32)35/h2-3,5-16H,4,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,23,10,18,24,16,22,3,7,30,34,31,33,4,6,9,11,2,19,29,32,5,15,21,20,27,13,25,35,8,12,28,14,26/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(24,25)(28,29)(34,35)/rA:35nCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s12s21;d25;s8;d27;s27;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H23ClN2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.1524 |
Area: | 690.663 |
Solvation: | -3.11422 |
Coulombic: | -47.9965 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 482.957 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.74 |
LogP (Chemaxon): | 5.36 |
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.
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