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Chemical ID: 7493477
Chemical ID:
7493477
Name [?]:
phenethyl 4-[N'-[3-[(4-ethoxyphenyl)carbamoyl]propanoyl]hydrazino]-4-oxo-butanoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2
InChi [?]:
InChI=1/C24H29N3O6/c1-2-32-20-10-8-19(9-11-20)25-21(28)12-13-22(29)26-27-23(30)14-15-24(31)33-17-16-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,31,30,32,29,33,6,8,5,9,13,14,21,22,27,26,28,7,4,11,15,19,23,10,17,18,12,16,20,24,3,25/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCOCCCCCCNCOCCCONNCOCCCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s23;s25;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O6 |
All Atoms: | 62 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9125 |
Area: | 777.762 |
Solvation: | -6.53158 |
Coulombic: | -78.8407 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 455.504 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 2.21 |
LogP (Chemaxon): | 1.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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