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Chemical ID: 7080085
Chemical ID:
7080085
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN(C)C)c4cccc(c4)Cl
InChi [?]:
InChI=1/C24H25ClN2O3/c1-14-11-18-19(12-15(14)2)30-23-20(22(18)28)21(16-7-5-8-17(25)13-16)27(24(23)29)10-6-9-26(3)4/h5,7-8,11-13,21H,6,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,22,23,26,19,25,27,20,18,3,6,29,2,7,24,28,4,5,11,14,12,10,16,30,21,15,13,17,9/E:(3,4)/rA:30cCCCCCCCCOCCCOCNCOCCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s21;s14;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25ClN2O3 |
All Atoms: | 55 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1391 |
Area: | 627.302 |
Solvation: | -3.54346 |
Coulombic: | -40.8959 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 424.92 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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