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Chemical ID: 7080149
Chemical ID:
7080149
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)C(=O)OC
InChi [?]:
InChI=1/C24H23ClN2O5/c1-26(2)11-4-12-27-20(14-5-7-15(8-6-14)24(30)31-3)19-21(28)17-13-16(25)9-10-18(17)32-22(19)23(27)29/h5-10,13,20H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,32,5,24,28,25,27,15,16,4,6,13,23,26,14,12,17,9,8,10,19,20,29,22,2,7,11,21,30,31,18/E:(1,2)(5,6)(7,8)/rA:32cCNCCCCNCCCOCCCCCCOCCOClCCCCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O5 |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7106 |
Area: | 693.82 |
Solvation: | -4.63485 |
Coulombic: | -59.6318 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 454.903 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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