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Chemical ID: 6882681
Chemical ID:
6882681
Name [?]:
(3,4-dichlorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-12-5-8-14(18)15(19)9-12/h3-9H,2,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,18,5,9,19,22,13,7,17,4,20,21,14,10,24,23,16,15,11,3,12/E:(3,4)(6,7)/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;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2572 |
Area: | 589.948 |
Solvation: | -4.49149 |
Coulombic: | -48.6692 |
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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