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Chemical ID: 5714798
Chemical ID:
5714798
Name [?]:
None
SMILES [?]:
CCN(CC)c1ccc(cc1)C2C3=C(CC(CC3=Nc4cc(ccc4N2)C(=O)c5ccccc5)(C)C)O
InChi [?]:
InChI=1/C32H35N3O2/c1-5-35(6-2)24-15-12-21(13-16-24)30-29-27(19-32(3,4)20-28(29)36)33-26-18-23(14-17-25(26)34-30)31(37)22-10-8-7-9-11-22/h7-18,30,34,36H,5-6,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,35,36,2,4,32,31,33,30,34,8,10,23,7,11,24,21,17,15,9,29,22,6,25,20,18,14,13,12,27,16,19,26,3,37,28/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:37cCCNCCCCCCCCCCCCCCCNCCCCCCNCOCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;s16;s13s17;d18;s19;s20;d21;s22;d23;d20s24;s12s25;s22;d27;s27;s29;d30;s31;d32;d29s33;s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H35N3O2 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.6025 |
Area: | 732.336 |
Solvation: | -3.7059 |
Coulombic: | -50.6114 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 493.639 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.35 |
LogP (Chemaxon): | 6.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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