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Chemical ID: 5876488
Chemical ID:
5876488
Name [?]:
1-[(3-benzyloxyphenyl)methyl]-1-(3-morpholinopropyl)-3-(1-naphthyl)urea
SMILES [?]:
c1ccc(cc1)COc2cccc(c2)CN(CCCN3CCOCC3)C(=O)Nc4cccc5c4cccc5
InChi [?]:
InChI=1/C32H35N3O3/c36-32(33-31-16-7-13-28-12-4-5-15-30(28)31)35(18-8-17-34-19-21-37-22-20-34)24-27-11-6-14-29(23-27)38-25-26-9-2-1-3-10-26/h1-7,9-16,23H,8,17-22,24-25H2,(H,33,36)
InChi Info:
AuxInfo=1/1/N:1,2,6,37,36,11,31,18,3,5,12,38,32,10,35,30,19,17,21,25,22,24,14,15,7,4,13,33,9,34,29,26,28,20,16,27,23,8/E:(2,3)(9,10)(19,20)(21,22)/rA:38nCCCCCCCOCCCCCCCNCCCNCCOCCCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s16;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H35N3O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.425 |
Area: | 800.261 |
Solvation: | -5.58152 |
Coulombic: | -54.9271 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 509.639 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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