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Chemical ID: 6882672
Chemical ID:
6882672
Name [?]:
(3-chloro-4-methyl-phenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C18H18ClNO5/c1-11-4-5-13(8-16(11)19)20-17(21)10-25-18(22)12-6-14(23-2)9-15(7-12)24-3/h4-9H,10H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,25,3,4,21,17,6,19,12,2,16,5,20,18,7,10,14,8,9,11,15,22,24,13/E:(2,3)(6,7)(14,15)(23,24)/rA:25nCCCCCCCClNCOCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s18;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO5 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80945 |
Area: | 585.226 |
Solvation: | -5.8212 |
Coulombic: | -53.9902 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.792 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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