Chemical ID: 6557597

c1ccc2c(c1)cc3ccccc3c2C(=O)OCC(=O)Nc4ccc(cc4)Br
Chemical ID:
6557597
Name [?]:
(4-bromophenyl)carbamoylmethyl anthracene-9-carboxylate
SMILES [?]:
c1ccc2c(c1)cc3ccccc3c2C(=O)OCC(=O)Nc4ccc(cc4)Br
InChi [?]:
InChI=1/C23H16BrNO3/c24-17-9-11-18(12-10-17)25-21(26)14-28-23(27)22-19-7-3-1-5-15(19)13-16-6-2-4-8-20(16)22/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,10,2,11,6,9,3,12,24,26,23,27,7,18,5,8,25,22,4,13,19,14,15,28,21,20,16,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(19,20)/rA:28nCCCCCCCCCCCCCCCOOCCONCCCCCCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16BrNO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.538
Area:605.069
Solvation:-3.58875
Coulombic:-43.317
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:434.282
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.03
LogP (Chemaxon):5.47

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