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Chemical ID: 7273092
Chemical ID:
7273092
Name [?]:
methyl 4-[1-[(3,5-dichlorophenyl)carbamoyl]ethoxy]benzoate
SMILES [?]:
CC(C(=O)Nc1cc(cc(c1)Cl)Cl)Oc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-10(16(21)20-14-8-12(18)7-13(19)9-14)24-15-5-3-11(4-6-15)17(22)23-2/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,17,19,16,20,9,7,11,2,18,8,10,6,15,3,21,13,12,5,4,22,23,14/E:(3,4)(5,6)(8,9)(12,13)(18,19)/rA:24cCCCONCCCCCCClClOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s8;s2;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2902 |
Area: | 588.003 |
Solvation: | -4.40988 |
Coulombic: | -49.1649 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.38 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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