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Chemical ID: 6016555
Chemical ID:
6016555
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(3-morpholinopropyl)-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)N(CCCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4
InChi [?]:
InChI=1/C29H34FN3O5/c30-25-11-9-24(10-12-25)20-33(21-27-8-4-17-37-27)28(34)22-32(14-5-13-31-15-18-36-19-16-31)29(35)23-38-26-6-2-1-3-7-26/h1-4,6-12,17H,5,13-16,18-23H2
InChi Info:
AuxInfo=1/0/N:1,2,6,36,13,3,5,35,27,31,28,30,14,12,16,20,37,17,19,25,33,21,8,26,29,4,34,22,9,32,15,11,24,23,10,18,38,7/E:(2,3)(6,7)(9,10)(11,12)(15,16)(18,19)/rA:38nCCCCCCOCCONCCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s24;s33;d34;s35;d36;s34s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H34FN3O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3534 |
Area: | 795.558 |
Solvation: | -9.53554 |
Coulombic: | -64.0754 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 523.596 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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