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Chemical ID: 7080462
Chemical ID:
7080462
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C23H23NO4/c1-3-15-9-11-16(12-10-15)20-19-21(25)17-7-4-5-8-18(17)28-22(19)23(26)24(20)13-6-14-27-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,15,16,25,14,17,4,8,5,7,24,26,3,6,13,18,10,9,11,20,21,23,12,22,27,19/E:(9,10)(11,12)/rA:28cCCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO4 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5671 |
Area: | 605.868 |
Solvation: | -4.57965 |
Coulombic: | -44.0333 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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