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Chemical ID: 5563728
Chemical ID:
5563728
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)NCC3CCCCC3)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C23H29N3O4/c27-21(24-14-16-7-3-1-4-8-16)15-30-23(29)17-10-11-18-19(13-17)25-20-9-5-2-6-12-26(20)22(18)28/h10-11,13,16H,1-9,12,14-15H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:18,28,17,19,29,27,16,20,30,1,2,26,5,14,10,15,6,3,4,22,11,24,7,13,21,23,12,25,8,9/E:(3,4)(7,8)/rA:30nCCCCCCCOOCCONCCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;s4;d21;s22;s3s23;d24;s23;s26;s27;s28;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4638 |
Area: | 652.22 |
Solvation: | -3.84175 |
Coulombic: | -63.2813 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 411.494 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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