Chemical ID: 5872767

COc1ccccc1CN(CCc2ccc(c(c2)OC)OC)C(=O)Nc3cccc4c3cccc4
Chemical ID:
5872767
Name [?]:
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(1-naphthyl)urea
SMILES [?]:
COc1ccccc1CN(CCc2ccc(c(c2)OC)OC)C(=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H30N2O4/c1-33-26-14-7-5-10-23(26)20-31(18-17-21-15-16-27(34-2)28(19-21)35-3)29(32)30-25-13-8-11-22-9-4-6-12-24(22)25/h4-16,19H,17-18,20H2,1-3H3,(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,22,20,34,6,33,5,28,35,7,29,32,27,4,14,15,12,11,18,9,13,30,8,31,26,3,16,17,23,25,10,24,2,21,19/rA:35nCOCCCCCCCNCCCCCCCCOCOCCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:10.7257
Area:698.202
Solvation:-6.72932
Coulombic:-54.7436
Bond Count [?]
All:38
Single:26
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:470.56
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.38
LogP (Chemaxon):5.64

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Experimental Annotations

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Descriptor Annotations

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