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Chemical ID: 5572845
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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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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