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Chemical ID: 7277523
Chemical ID:
7277523
Name [?]:
None
SMILES [?]:
CC(c1ccccc1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
InChi [?]:
InChI=1/C24H25N3O4/c1-16(17-8-4-2-5-9-17)25-22(28)15-31-24(30)18-11-12-19-20(14-18)26-21-10-6-3-7-13-27(21)23(19)29/h2,4-5,8-9,11-12,14,16H,3,6-7,10,13,15H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,6,29,5,7,30,28,4,8,31,17,18,27,21,12,2,3,16,19,20,23,10,25,14,9,22,24,11,26,15,13/E:(4,5)(8,9)/rA:31cCCCCCCCCNCOCOCOCCCCCCNCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s23;s19s24;d25;s24;s27;s28;s29;s23s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O4 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3632 |
Area: | 658.174 |
Solvation: | -4.09113 |
Coulombic: | -64.0142 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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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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