Chemical ID: 6555600

CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)I
Chemical ID:
6555600
Name [?]:
(4-iodophenyl)carbamoylmethyl 4-tert-butylbenzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)I
InChi [?]:
InChI=1/C19H20INO3/c1-19(2,3)14-6-4-13(5-7-14)18(23)24-12-17(22)21-16-10-8-15(20)9-11-16/h4-11H,12H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,20,22,19,23,14,8,5,21,18,15,11,2,24,17,16,12,13/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCCCOOCCONCCCCCCI/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20INO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.7379
Area:590.074
Solvation:-3.01393
Coulombic:-42.7783
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:437.272
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):5.29

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Descriptor Annotations

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