ChemDB: Chemical Search
Download
Chemical ID: 6173780
Chemical ID:
6173780
Name [?]:
N'-[[4-(carbamoylmethoxy)phenyl]methyleneamino]-N-(4-methoxyphenyl)-oxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)OCC(=O)N
InChi [?]:
InChI=1/C18H18N4O5/c1-26-14-8-4-13(5-9-14)21-17(24)18(25)22-20-10-12-2-6-15(7-3-12)27-11-16(19)23/h2-10H,11H2,1H3,(H2,19,23)(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,22,5,7,19,21,4,8,16,24,17,6,3,20,25,10,12,27,15,9,14,26,11,13,2,23/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCOCCCCCCNCOCONNCCCCCCCOCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N4O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84315 |
Area: | 605.918 |
Solvation: | -7.3048 |
Coulombic: | -82.2591 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 370.359 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 9 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.15 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|