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Chemical ID: 7279196
Chemical ID:
7279196
Name [?]:
1-(2-methoxyphenyl)-3-(2-pyrrolidin-1-ylcarbonylethyl)urea
SMILES [?]:
COc1ccccc1NC(=O)NCCC(=O)N2CCCC2
InChi [?]:
InChI=1/C15H21N3O3/c1-21-13-7-3-2-6-12(13)17-15(20)16-9-8-14(19)18-10-4-5-11-18/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,6,5,19,20,7,4,14,13,18,21,8,3,15,10,12,9,17,16,11,2/E:(4,5)(10,11)/rA:21nCOCCCCCCNCONCCCONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O3 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61796 |
Area: | 510.195 |
Solvation: | -4.13691 |
Coulombic: | -57.3203 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.346 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.81 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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