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Chemical ID: 4498057
Chemical ID:
4498057
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC(C)C
InChi [?]:
InChI=1/C24H25NO4/c1-15(2)28-14-6-13-25-21(17-11-9-16(3)10-12-17)20-22(26)18-7-4-5-8-19(18)29-23(20)24(25)27/h4-5,7-12,15,21H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:28,29,1,14,15,24,13,16,3,7,4,6,23,25,27,2,5,12,17,9,8,10,19,20,22,11,21,26,18/E:(1,2)(9,10)(11,12)/rA:29cCCCCCCCCCCOCCCCCCOCCONCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3114 |
Area: | 629.319 |
Solvation: | -4.42156 |
Coulombic: | -44.0088 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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