Chemical ID: 7470158

COc1ccc(cc1)CC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2
Chemical ID:
7470158
Name [?]:
3-phenylpropyl 5-[N'-[2-(4-methoxyphenyl)acetyl]hydrazino]-5-oxo-pentanoate
SMILES [?]:
COc1ccc(cc1)CC(=O)NNC(=O)CCCC(=O)OCCCc2ccccc2
InChi [?]:
InChI=1/C23H28N2O5/c1-29-20-14-12-19(13-15-20)17-22(27)25-24-21(26)10-5-11-23(28)30-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-15H,5-6,9-11,16-17H2,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,17,23,26,30,24,16,18,5,7,4,8,22,9,25,6,3,14,10,19,13,12,15,11,20,2,21/E:(3,4)(7,8)(12,13)(14,15)/rA:30nCOCCCCCCCCONNCOCCCCOOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N2O5
All Atoms:58
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.4102
Area:721.553
Solvation:-6.62862
Coulombic:-60.1868
Bond Count [?]
All:31
Single:22
Double:9
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:412.479
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.31
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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