Chemical ID: 7432830

CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccccc4
Chemical ID:
7432830
Name [?]:
None
SMILES [?]:
CCN(CC)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Br)c4ccccc4
InChi [?]:
InChI=1/C24H25BrN2O3/c1-3-26(4-2)13-8-14-27-21(16-9-6-5-7-10-16)20-22(28)18-15-17(25)11-12-19(18)30-23(20)24(27)29/h5-7,9-12,15,21H,3-4,8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,28,27,29,7,26,30,17,18,6,8,15,25,16,14,19,11,10,12,21,22,24,3,9,13,23,20/E:(1,2)(3,4)(6,7)(9,10)/rA:30cCCNCCCCCNCCCOCCCCCCOCCOBrCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25BrN2O3
All Atoms:55
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1273
Area:624.61
Solvation:-3.48795
Coulombic:-40.9895
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:469.371
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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