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Chemical ID: 5278059
Chemical ID:
5278059
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C24H25NO5/c1-15(2)29-14-6-13-25-21(16-9-11-17(28-3)12-10-16)20-22(26)18-7-4-5-8-19(18)30-23(20)24(25)27/h4-5,7-12,15,21H,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,15,16,6,14,17,24,28,25,27,7,5,2,23,26,13,18,10,9,11,20,21,8,12,22,29,4,19/E:(1,2)(9,10)(11,12)/rA:30cCCCOCCCNCCCOCCCCCCOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.8018 |
Area: | 629.808 |
Solvation: | -5.94339 |
Coulombic: | -50.2389 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 407.459 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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