Chemical ID: 7365450

CCN(CC)C(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2O)O
Chemical ID:
7365450
Name [?]:
[4-(diethylcarbamoyl)phenyl]carbamoylmethyl 2,4-dihydroxybenzoate
SMILES [?]:
CCN(CC)C(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccc(cc2O)O
InChi [?]:
InChI=1/C20H22N2O6/c1-3-22(4-2)19(26)13-5-7-14(8-6-13)21-18(25)12-28-20(27)16-10-9-15(23)11-17(16)24/h5-11,23-24H,3-4,12H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,13,10,12,23,22,25,17,8,11,24,21,26,15,6,19,14,3,28,27,16,7,20,18/E:(1,2)(3,4)(5,6)(7,8)/rA:28nCCNCCCOCCCCCCNCOCOCOCCCCCCOO/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O6
All Atoms:50
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.40986
Area:622.252
Solvation:-6.14643
Coulombic:-88.231
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.399
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.26
LogP (Chemaxon):2.59

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Descriptor Annotations

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