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Chemical ID: 6557137
Chemical ID:
6557137
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO5/c1-23-14-3-10(4-15(8-14)24-2)17(22)25-9-16(21)20-13-6-11(18)5-12(19)7-13/h3-8H,9H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,4,6,21,19,23,8,14,5,20,22,18,3,7,15,11,25,24,17,16,12,2,9,13/E:(1,2)(3,4)(6,7)(11,12)(14,15)(18,19)(23,24)/rA:25nCOCCCCCCOCCOOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22721 |
Area: | 603.509 |
Solvation: | -5.86051 |
Coulombic: | -53.8367 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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