Chemical ID: 6551647

CC(=O)Oc1ccc(cc1)c2cccc(c2)C(=O)N(c3ccccc3)c4ccccc4
Chemical ID:
6551647
Name [?]:
[4-[3-(diphenylcarbamoyl)phenyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)c2cccc(c2)C(=O)N(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C27H21NO3/c1-20(29)31-26-17-15-21(16-18-26)22-9-8-10-23(19-22)27(30)28(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-19H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,29,22,24,28,30,13,12,14,21,25,27,31,7,9,6,10,16,2,8,11,15,20,26,5,17,19,3,18,4/E:(2,3)(4,5,6,7)(11,12,13,14)(15,16)(17,18)(24,25)/rA:31nCCOOCCCCCCCCCCCCCONCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H21NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.6936
Area:631.272
Solvation:-3.08816
Coulombic:-38.9776
Bond Count [?]
All:34
Single:20
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.461
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.43
LogP (Chemaxon):5.74

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Descriptor Annotations

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