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Chemical ID: 6016835
Chemical ID:
6016835
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-2-fluoro-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(=O)c4ccccc4F
InChi [?]:
InChI=1/C25H25FN2O5/c1-2-11-27(25(30)20-7-3-4-8-21(20)26)16-24(29)28(15-19-6-5-12-31-19)14-18-9-10-22-23(13-18)33-17-32-22/h3-10,12-13H,2,11,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,30,22,21,28,31,11,12,3,23,15,9,19,5,17,10,20,27,32,13,14,6,25,33,4,8,7,26,24,18,16/rA:33nCCCNCCONCCCCCCCOCOCCCCCOCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s4;d25;s25;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25FN2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94996 |
Area: | 644.858 |
Solvation: | -7.17149 |
Coulombic: | -60.7122 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 452.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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