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Chemical ID: 7415985
Chemical ID:
7415985
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5cccc(c5)OC
InChi [?]:
InChI=1/C27H26N2O4/c1-28(2)14-7-15-29-23(18-9-6-10-19(16-18)32-3)22-24(30)21-13-12-17-8-4-5-11-20(17)25(21)33-26(22)27(29)31/h4-6,8-13,16,23H,7,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,17,18,28,5,16,27,29,19,14,13,4,6,31,15,26,30,20,12,9,8,10,21,23,24,2,7,11,25,32,22/E:(1,2)/rA:33cCNCCCCNCCCOCCCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;d9s22;s7s23;d24;s8;s26;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O4 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1011 |
Area: | 644.011 |
Solvation: | -4.99919 |
Coulombic: | -48.3474 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 442.506 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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