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Chemical ID: 6557419
Chemical ID:
6557419
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-2-23-15-5-3-11(4-6-15)17(22)24-10-16(21)20-14-8-12(18)7-13(19)9-14/h3-9H,2,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,20,18,22,13,7,19,21,17,4,14,10,24,23,16,15,11,3,12/E:(3,4)(5,6)(8,9)(12,13)(18,19)/rA:24nCCOCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5 |
Area: | 596.193 |
Solvation: | -4.40483 |
Coulombic: | -48.496 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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