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Chemical ID: 7432786
Chemical ID:
7432786
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)F
InChi [?]:
InChI=1/C24H24BrFN2O3/c1-3-27(4-2)12-5-13-28-21(15-6-9-17(26)10-7-15)20-22(29)18-14-16(25)8-11-19(18)31-23(20)24(28)30/h6-11,14,21H,3-5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,26,30,17,27,29,18,6,8,15,25,16,28,14,19,11,10,12,21,22,24,31,3,9,13,23,20/E:(1,2)(3,4)(6,7)(9,10)/rA:31cCCNCCCCCNCCCOCCCCCCOCCOBrCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s16;s10;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24BrFN2O3 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3609 |
Area: | 631.431 |
Solvation: | -4.42488 |
Coulombic: | -43.8498 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 487.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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