Chemical ID: 7275316

CC(C)(C)c1ccc(cc1)C(=O)NC(=O)COC(=O)c2ccccc2
Chemical ID:
7275316
Name [?]:
(4-tert-butylbenzoyl)carbamoylmethyl benzoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)NC(=O)COC(=O)c2ccccc2
InChi [?]:
InChI=1/C20H21NO4/c1-20(2,3)16-11-9-14(10-12-16)18(23)21-17(22)13-25-19(24)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,24,21,25,7,9,6,10,16,8,20,5,14,11,18,2,13,15,12,19,17/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCCCCONCOCOCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO4
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.5541
Area:578.527
Solvation:-4.90907
Coulombic:-50.8608
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.385
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.11
LogP (Chemaxon):3.63

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Descriptor Annotations

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