Chemical ID: 6016835

CCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(=O)c4ccccc4F
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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