Chemical ID: 7493477

CCOc1ccc(cc1)NC(=O)CCC(=O)NNC(=O)CCC(=O)OCCc2ccccc2
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

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Experimental Annotations

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Descriptor Annotations

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