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Chemical ID: 6014737

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C(C)C)C(=O)c4ccccc4F

Chemical ID:

6014737

Name [?]:

N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-2-fluoro-N-isopropyl-benzamide

SMILES [?]:

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C(C)C)C(=O)c4ccccc4F

InChi [?]:

InChI=1/C26H27FN2O5/c1-17(2)29(26(31)21-6-4-5-7-22(21)27)15-25(30)28(14-20-10-8-18(3)34-20)13-19-9-11-23-24(12-19)33-16-32-23/h4-12,17H,13-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:24,25,1,30,31,29,32,3,11,4,12,15,9,7,21,17,23,2,10,5,28,33,13,14,19,26,34,8,22,20,27,18,16,6/E:(1,2)/rA:34nCCCCCOCNCCCCCCCOCOCOCNCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s23;s22;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₇FN₂O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	8.12562
Area:	629.334
Solvation:	-7.60774
Coulombic:	-59.3084

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.501
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.04
LogP (Chemaxon):	3.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value