Chemical ID: 7124057

COc1cc(ccc1OCC(=O)Nc2ccccc2)C=CC(=O)[O-]
Chemical ID:
7124057
Name [?]:
3-[3-methoxy-4-(phenylcarbamoylmethoxy)phenyl]prop-2-enoate
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccccc2)C=CC(=O)[O-]
InChi [?]:
InChI=1/C18H17NO5/c1-23-16-11-13(8-10-18(21)22)7-9-15(16)24-12-17(20)19-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,19,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,6,20,7,21,4,10,5,14,8,3,11,22,13,12,23,24,2,9/E:(3,4)(5,6)(21,22)/rA:24nCOCCCCCCOCCONCCCCCCCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s5;w20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16NO5-
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-33.2286
Area:558.939
Solvation:-47.2021
Coulombic:-36.6161
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:326.323
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.73
LogP (Chemaxon):2.73

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