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Chemical ID: 5572845

Cc1ccc(cc1NC(=O)c2ccco2)C(=O)OCC(=O)Nc3ccccc3C(=O)OC

Chemical ID:

5572845

Name [?]:

(2-methoxycarbonylphenyl)carbamoylmethyl 3-(2-furylcarbonylamino)-4-methyl-benzoate

SMILES [?]:

Cc1ccc(cc1NC(=O)c2ccco2)C(=O)OCC(=O)Nc3ccccc3C(=O)OC

InChi [?]:

InChI=1/C23H20N2O7/c1-14-9-10-15(12-18(14)25-21(27)19-8-5-11-31-19)22(28)32-13-20(26)24-17-7-4-3-6-16(17)23(29)30-2/h3-12H,13H2,1-2H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,32,26,25,13,27,24,12,3,4,14,6,19,2,5,28,23,7,11,20,9,16,29,22,8,21,10,17,30,31,15,18/rA:32nCCCCCCCNCOCCCCOCOOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s5;d16;s16;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₂O₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0346
Area:	687.16
Solvation:	-5.14439
Coulombic:	-90.2356

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	436.414
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.96
LogP (Chemaxon):	2.7

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