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Chemical ID: 6016483
Chemical ID:
6016483
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-4-methyl-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)N(Cc3ccc(cc3)F)Cc4ccco4
InChi [?]:
InChI=1/C28H32FN3O4/c1-22-4-8-24(9-5-22)28(34)31(13-12-30-14-17-35-18-15-30)21-27(33)32(20-26-3-2-16-36-26)19-23-6-10-25(29)11-7-23/h2-11,16H,12-15,17-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,34,33,3,7,25,29,4,6,26,28,12,11,14,18,35,15,17,23,31,19,2,24,5,27,32,20,8,30,13,10,22,21,9,16,36/E:(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)/rA:36nCCCCCCCCONCCNCCOCCCCONCCCCCCCFCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s22;s31;d32;s33;d34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32FN3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.83 |
Area: | 723.804 |
Solvation: | -7.26512 |
Coulombic: | -58.4167 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 493.57 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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