Chemical ID: 5799300

COc1ccc(c(c1)OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
Chemical ID:
5799300
Name [?]:
N-[benzamido-(2,4-dimethoxyphenyl)-methyl]benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O4/c1-28-18-13-14-19(20(15-18)29-2)21(24-22(26)16-9-5-3-6-10-16)25-23(27)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,10,18,27,17,19,26,28,16,20,25,29,4,5,8,15,24,3,6,7,11,13,22,12,21,14,23,2,9/E:(3,4)(5,6,7,8)(9,10,11,12)(16,17)(22,23)(24,25)(26,27)/gE:(1,2)/rA:29nCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s11;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.74077
Area:613.753
Solvation:-5.60305
Coulombic:-60.0381
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:390.432
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.42
LogP (Chemaxon):3.32

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Descriptor Annotations

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