Chemical ID: 4140512

Cc1ccc(cc1)NC(=O)NC2CCN3C(C2)C(=O)N(C3=O)c4ccc(cc4)C
Chemical ID:
4140512
Name [?]:
3-[7,9-dioxo-8-(p-tolyl)-1,8-diazabicyclo[4.3.0]non-4-yl]-1-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)NC2CCN3C(C2)C(=O)N(C3=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C22H24N4O3/c1-14-3-7-16(8-4-14)23-21(28)24-17-11-12-25-19(13-17)20(27)26(22(25)29)18-9-5-15(2)6-10-18/h3-10,17,19H,11-13H2,1-2H3,(H2,23,24,28)
InChi Info:
AuxInfo=1/1/N:1,29,3,7,25,27,4,6,24,28,13,14,17,2,26,5,12,23,16,18,9,21,8,11,15,20,19,10,22/E:(3,4)(5,6)(7,8)(9,10)/rA:29cCCCCCCCNCONCCCNCCCONCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;d18;s18;s15s20;d21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.8821
Area:608.165
Solvation:-3.32198
Coulombic:-70.5256
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:392.451
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.76
LogP (Chemaxon):3.12

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Descriptor Annotations

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