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Chemical ID: 7079582
Chemical ID:
7079582
Name [?]:
None
SMILES [?]:
CCN(CC)CCN1C(c2c(=O)c3cc(c(cc3oc2C1=O)C)C)c4ccccc4F
InChi [?]:
InChI=1/C25H27FN2O3/c1-5-27(6-2)11-12-28-22(17-9-7-8-10-19(17)26)21-23(29)18-13-15(3)16(4)14-20(18)31-24(21)25(28)30/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,24,23,2,4,27,28,26,29,6,7,14,17,15,16,25,13,30,18,10,9,11,20,21,31,3,8,12,22,19/E:(1,2)(5,6)/rA:31cCCNCCCCNCCCOCCCCCCOCCOCCCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s16;s15;s9;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27FN2O3 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8138 |
Area: | 638.771 |
Solvation: | -4.15552 |
Coulombic: | -44.1623 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 422.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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