Chemical ID: 3961153

c1cc(cc(c1)F)NC(=O)NC2(CCCCC2)C(=O)N3CCN4CCCC4C3
Chemical ID:
3961153
Name [?]:
3-[1-(1,4-diazabicyclo[4.3.0]non-4-ylcarbonyl)cyclohexyl]-1-(3-fluorophenyl)-urea
SMILES [?]:
c1cc(cc(c1)F)NC(=O)NC2(CCCCC2)C(=O)N3CCN4CCCC4C3
InChi [?]:
InChI=1/C21H29FN4O2/c22-16-6-4-7-17(14-16)23-20(28)24-21(9-2-1-3-10-21)19(27)26-13-12-25-11-5-8-18(25)15-26/h4,6-7,14,18H,1-3,5,8-13,15H2,(H2,23,24,28)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,25,6,2,26,13,17,24,22,21,4,28,5,3,27,18,9,12,7,8,11,23,20,19,10/E:(2,3)(9,10)/rA:28cCCCCCCFNCONCCCCCCCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;d18;s18;s20;s21;s22;s23;s24;s25;s23s26;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29FN4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:9.60995
Area:563.771
Solvation:-4.48433
Coulombic:-59.7676
Bond Count [?]
All:31
Single:26
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.479
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):2.42

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Descriptor Annotations

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