Chemical ID: 3939147

Cc1cccc(c1)NC(=O)NC2CC3CCCC(C2)N3Cc4ccc(cc4)OC
Chemical ID:
3939147
Name [?]:
3-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]non-7-yl]-1-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)NC2CC3CCCC(C2)N3Cc4ccc(cc4)OC
InChi [?]:
InChI=1/C24H31N3O2/c1-17-5-3-6-19(13-17)25-24(28)26-20-14-21-7-4-8-22(15-20)27(21)16-18-9-11-23(29-2)12-10-18/h3,5-6,9-13,20-22H,4,7-8,14-16H2,1-2H3,(H2,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,4,16,3,5,15,17,23,27,24,26,7,13,19,21,2,22,6,12,14,18,25,9,8,11,20,10,28/E:(7,8)(9,10)(11,12)(14,15)(21,22)/rA:29cCCCCCCCNCONCCCCCCCCNCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s12s18;s14s18;s20;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.9922
Area:627.081
Solvation:-3.68483
Coulombic:-48.1772
Bond Count [?]
All:32
Single:25
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.522
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.31
LogP (Chemaxon):4.18

Name Annotations

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Descriptor Annotations

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