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Chemical ID: 5695541
Chemical ID:
5695541
Name [?]:
None
SMILES [?]:
c1cc2c(cc1CNC(=O)COC(=O)c3ccc4c(c3)nc5n(c4=O)CCCCC5)OCO2
InChi [?]:
InChI=1/C24H23N3O6/c28-22(25-12-15-5-8-19-20(10-15)33-14-32-19)13-31-24(30)16-6-7-17-18(11-16)26-21-4-2-1-3-9-27(21)23(17)29/h5-8,10-11H,1-4,9,12-14H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:28,29,27,30,1,16,17,2,26,5,20,7,11,32,6,15,18,19,3,4,22,9,24,13,8,21,23,10,25,14,12,33,31/rA:33nCCCCCCCNCOCOCOCCCCCCNCNCOCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s22;s18s23;d24;s23;s26;s27;s28;s22s29;s4;s31;s3s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3482 |
Area: | 682.542 |
Solvation: | -5.71533 |
Coulombic: | -78.6604 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 449.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.04 |
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.
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