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Chemical ID: 4806119
Chemical ID:
4806119
Name [?]:
None
SMILES [?]:
CCOCCCN1C(=O)c2c(c(=O)c3ccccc3o2)C14c5ccccc5N(C4=O)C
InChi [?]:
InChI=1/C24H22N2O5/c1-3-30-14-8-13-26-22(28)21-19(20(27)15-9-4-7-12-18(15)31-21)24(26)16-10-5-6-11-17(16)25(2)23(24)29/h4-7,9-12H,3,8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,16,24,25,17,5,15,23,26,18,6,4,14,22,27,19,11,12,10,8,29,21,28,7,13,9,30,3,20/rA:31cCCOCCCNCOCCCOCCCCCCOCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s12;s14;d15;s16;d17;d14s18;s10s19;s7s11;s21;s22;d23;s24;d25;d22s26;s27;s21s28;d29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1078 |
Area: | 620.201 |
Solvation: | -5.39727 |
Coulombic: | -59.3988 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 418.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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