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Chemical ID: 7075450
Chemical ID:
7075450
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(CC)CC
InChi [?]:
InChI=1/C30H38N2O5/c1-5-8-11-19-36-24-16-15-21(20-25(24)35-4)27-26-28(33)22-13-9-10-14-23(22)37-29(26)30(34)32(27)18-12-17-31(6-2)7-3/h9-10,13-16,20,27H,5-8,11-12,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,37,14,2,34,36,3,21,22,4,31,20,23,9,8,32,30,5,11,10,19,24,7,12,16,15,17,26,27,33,29,18,28,13,6,25/E:(2,3)(6,7)/rA:37cCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCNCCCC/rB:s1;s2;s3;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;s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O5 |
All Atoms: | 75 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3293 |
Area: | 806.876 |
Solvation: | -6.84261 |
Coulombic: | -55.1608 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 506.633 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.96 |
LogP (Chemaxon): | 4.47 |
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.
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