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Chemical ID: 7365450
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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