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Chemical ID: 7061980
Chemical ID:
7061980
Name [?]:
tetrahydrofuran-2-ylmethyl 4-[[5-(2-chlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(cc3)C(=O)OCC4CCCO4)Cl
InChi [?]:
InChI=1/C23H20ClNO5/c24-19-6-2-1-5-18(19)20-11-12-21(30-20)22(26)25-16-9-7-15(8-10-16)23(27)29-14-17-4-3-13-28-17/h1-2,5-12,17H,3-4,13-14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,6,3,17,19,16,20,8,9,28,24,18,15,25,5,4,7,10,12,21,30,14,13,22,29,23,11/E:(7,8)(9,10)/rA:30cCCCCCCCCCCOCONCCCCCCCOOCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;s25;s26;s27;s25s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20ClNO5 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8429 |
Area: | 667.614 |
Solvation: | -4.84748 |
Coulombic: | -59.8729 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.861 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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