Chemical ID: 7038889

CC(=O)Oc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
Chemical ID:
7038889
Name [?]:
[4-(dibenzamidomethyl)-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H22N2O5/c1-16(27)31-20-14-13-19(15-21(20)30-2)22(25-23(28)17-9-5-3-6-10-17)26-24(29)18-11-7-4-8-12-18/h3-15,22H,1-2H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,12,20,29,19,21,28,30,18,22,27,31,7,6,9,2,17,26,8,5,10,13,15,24,14,23,3,16,25,11,4/E:(3,4)(5,6,7,8)(9,10,11,12)(17,18)(23,24)(25,26)(28,29)/gE:(1,2)/rA:31nCCOOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2O5
All Atoms:53
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.7058
Area:657.844
Solvation:-5.74029
Coulombic:-70.6824
Bond Count [?]
All:33
Single:21
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.442
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.03
LogP (Chemaxon):3.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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