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Chemical ID: 4798057
Chemical ID:
4798057
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
InChi [?]:
InChI=1/C24H22N2O5/c1-4-25-17-8-6-5-7-16(17)24(23(25)29)19-20(27)15-13-14(2)9-10-18(15)31-21(19)22(28)26(24)11-12-30-3/h5-10,13H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,7,6,8,5,19,20,27,28,17,18,16,9,4,21,13,14,23,24,11,10,3,26,15,25,12,29,22/rA:31cCCNCCCCCCCCOCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;s29;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.75655 |
Area: | 580.846 |
Solvation: | -4.7646 |
Coulombic: | -58.6944 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 418.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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