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Chemical ID: 4418581
Chemical ID:
4418581
Name [?]:
None
SMILES [?]:
CCc1ccccc1NC(=O)c2ccccc2N3C(=O)C4C5CCC(C5)C4C3=O
InChi [?]:
InChI=1/C24H24N2O3/c1-2-14-7-3-5-9-18(14)25-22(27)17-8-4-6-10-19(17)26-23(28)20-15-11-12-16(13-15)21(20)24(26)29/h3-10,15-16,20-21H,2,11-13H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,5,14,6,15,4,13,7,16,23,24,26,3,22,25,12,8,17,21,27,10,19,28,9,18,11,20,29/E:(11,12)(15,16)(20,21)(23,24)(28,29)/rA:29cCCCCCCCCNCOCCCCCCNCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;s24;s22s25;s21s25;s18s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.5673 |
Area: | 563.879 |
Solvation: | -3.52963 |
Coulombic: | -46.8291 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 388.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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