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Chemical ID: 7080007
Chemical ID:
7080007
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCc5ccccc5)CCCN(C)C
InChi [?]:
InChI=1/C30H30N2O4/c1-20-13-14-25-24(17-20)28(33)26-27(32(16-8-15-31(2)3)30(34)29(26)36-25)22-11-7-12-23(18-22)35-19-21-9-5-4-6-10-21/h4-7,9-14,17-18,27H,8,15-16,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,36,28,27,29,19,32,26,30,18,20,3,4,33,31,7,22,24,2,25,17,21,6,5,10,16,8,11,13,34,15,9,14,23,12/E:(2,3)(5,6)(9,10)/rA:36cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s15;s31;s32;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H30N2O4 |
All Atoms: | 66 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5442 |
Area: | 753.918 |
Solvation: | -5.30371 |
Coulombic: | -49.2081 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 482.57 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.68 |
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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