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Chemical ID: 7248572
Chemical ID:
7248572
Name [?]:
ethyl 4-[2-[4-methyl-4-(2-naphthyl)-2,5-dioxo-imidazolidin-1-yl]acetyl]aminobutanoate
SMILES [?]:
CCOC(=O)CCCNC(=O)CN1C(=O)C(NC1=O)(C)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H25N3O5/c1-3-30-19(27)9-6-12-23-18(26)14-25-20(28)22(2,24-21(25)29)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3,(H,23,26)(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,20,2,26,27,7,25,28,6,23,22,8,30,12,24,29,21,10,4,14,18,16,9,17,13,11,5,15,19,3/rA:30cCCOCOCCCNCOCNCOCNCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s13s17;d18;s16;s16;s21;d22;s23;s24;d25;s26;d27;d24s28;d21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O5 |
All Atoms: | 55 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6939 |
Area: | 663.96 |
Solvation: | -4.90508 |
Coulombic: | -79.7293 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 411.451 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.35 |
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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