Chemical ID: 6650253

CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3
Chemical ID:
6650253
Name [?]:
[4-[(2-ethoxybenzoyl)aminoiminomethyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C25H22N2O4/c1-2-30-23-11-7-6-10-22(23)25(29)27-26-18-20-12-15-21(16-13-20)31-24(28)17-14-19-8-4-3-5-9-19/h3-18H,2H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,7,6,27,31,8,5,16,20,25,17,19,24,14,26,15,18,9,4,22,10,13,12,23,11,3,21/E:(4,5)(8,9)(12,13)(15,16)/rA:31nCCOCCCCCCCONNCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.0161
Area:655.087
Solvation:-6.36108
Coulombic:-46.7084
Bond Count [?]
All:33
Single:20
Double:13
Rotors:10
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.11
LogP (Chemaxon):5.15

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