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Chemical ID: 7385241
Chemical ID:
7385241
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccc(cc5)OC)C(=O)C1
InChi [?]:
InChI=1/C29H28N2O4/c1-18-16-24-27(26(32)17-18)28(19-8-12-21(34-2)13-9-19)31(25-7-5-4-6-23(25)30-24)29(33)20-10-14-22(35-3)15-11-20/h4-15,18,28,30H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,32,24,11,10,12,9,26,30,18,22,27,29,19,21,3,35,2,25,17,28,20,13,4,8,33,5,6,15,14,7,34,16,31,23/E:(8,9)(10,11)(12,13)(14,15)/rA:35cCCCCCCNCCCCCCNCOCCCCCCOCCCCCCCOCCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s6;s25;d26;s27;d28;d25s29;s28;s31;s5;d33;s2s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H28N2O4 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2239 |
Area: | 644.468 |
Solvation: | -5.88783 |
Coulombic: | -51.4753 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 468.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.02 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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