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Chemical ID: 6876034
Chemical ID:
6876034
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 2-methylbenzoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)c2ccccc2C
InChi [?]:
InChI=1/C18H19NO4/c1-3-22-15-10-8-14(9-11-15)19-17(20)12-23-18(21)16-7-5-4-6-13(16)2/h4-11H,3,12H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,23,2,20,19,21,18,6,8,5,9,13,22,7,4,17,11,15,10,12,16,3,14/E:(8,9)(10,11)/rA:23nCCOCCCCCCNCOCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO4 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32032 |
Area: | 540.837 |
Solvation: | -4.20062 |
Coulombic: | -48.8789 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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