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Chemical ID: 5921597
Chemical ID:
5921597
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-4-fluoro-N-isopropyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccc(c(c2)OC)OC)C(=O)CN(C(C)C)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C28H33FN2O5/c1-19(2)31(28(33)22-8-10-23(29)11-9-22)18-27(32)30(17-24-12-6-20(3)36-24)15-14-21-7-13-25(34-4)26(16-21)35-5/h6-13,16,19H,14-15,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:26,27,1,20,18,3,12,31,35,32,34,4,13,10,9,16,7,23,25,2,11,30,33,5,14,15,21,28,36,8,24,22,29,19,17,6/E:(1,2)(8,9)(10,11)/rA:36nCCCCCOCNCCCCCCCCOCOCCOCNCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s25;s24;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33FN2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86262 |
Area: | 708.8 |
Solvation: | -8.85739 |
Coulombic: | -58.0021 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 496.57 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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