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Chemical ID: 7075546
Chemical ID:
7075546
Name [?]:
None
SMILES [?]:
CC(C)CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
InChi [?]:
InChI=1/C28H34N2O5/c1-18(2)13-16-34-22-12-11-19(17-23(22)33-5)25-24-26(31)20-9-6-7-10-21(20)35-27(24)28(32)30(25)15-8-14-29(3)4/h6-7,9-12,17-18,25H,8,13-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,34,35,14,21,22,31,20,23,9,8,4,32,30,5,11,2,10,19,24,7,12,16,15,17,26,27,33,29,18,28,13,6,25/E:(1,2)(3,4)/rA:35cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCNCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d16s25;s26;d27;s15s27;s29;s30;s31;s32;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O5 |
All Atoms: | 69 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8848 |
Area: | 752.108 |
Solvation: | -6.91792 |
Coulombic: | -54.7837 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 478.58 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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