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Chemical ID: 7300199
Chemical ID:
7300199
Name [?]:
p-tolylcarbamoylmethyl 2-(2-furylcarbonylamino)benzoate
SMILES [?]:
Cc1ccc(cc1)NC(=O)COC(=O)c2ccccc2NC(=O)c3ccco3
InChi [?]:
InChI=1/C21H18N2O5/c1-14-8-10-15(11-9-14)22-19(24)13-28-21(26)16-5-2-3-6-17(16)23-20(25)18-7-4-12-27-18/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,18,26,16,19,25,3,7,4,6,27,11,2,5,15,20,24,9,22,13,8,21,10,23,14,28,12/E:(8,9)(10,11)/rA:28nCCCCCCCNCOCOCOCCCCCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N2O5 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7034 |
Area: | 611.294 |
Solvation: | -4.57898 |
Coulombic: | -70.9138 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 378.378 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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