Chemical ID: 4416657

CC1Cc2cc(ccc2O1)C(=O)Nc3ccccc3C(=O)OC
Chemical ID:
4416657
Name [?]:
methyl 2-[(2-methyl-2,3-dihydrobenzofuran-5-yl)carbonylamino]benzoate
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)Nc3ccccc3C(=O)OC
InChi [?]:
InChI=1/C18H17NO4/c1-11-9-13-10-12(7-8-16(13)23-11)17(20)19-15-6-4-3-5-14(15)18(21)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,7,8,3,5,2,6,4,19,14,9,11,20,13,12,21,22,10/rA:23cCCCCCCCCCOCONCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.43885
Area:508.408
Solvation:-3.27134
Coulombic:-49.6872
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:311.332
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.58
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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