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Chemical ID: 6013967
Chemical ID:
6013967
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-fluoro-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CCN3CCOCC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C28H32FN3O4/c1-22-7-12-26(36-22)20-32(19-23-5-3-2-4-6-23)27(33)21-31(14-13-30-15-17-35-18-16-30)28(34)24-8-10-25(29)11-9-24/h2-12H,13-21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,31,35,32,34,4,21,20,23,27,24,26,9,7,18,2,10,30,33,5,16,28,36,22,19,8,17,29,25,6/E:(3,4)(5,6)(8,9)(10,11)(15,16)(17,18)/rA:36nCCCCCOCNCCCCCCCCOCNCCNCCOCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s19;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H32FN3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5914 |
Area: | 700.85 |
Solvation: | -6.92983 |
Coulombic: | -58.071 |
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: | 2.85 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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