Chemical ID: 7432786

CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccc(cc4)F
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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