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Chemical ID: 7080457
Chemical ID:
7080457
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C25H27NO4/c1-25(2,3)17-12-10-16(11-13-17)21-20-22(27)18-8-5-6-9-19(18)30-23(20)24(28)26(21)14-7-15-29-4/h5-6,8-13,21H,7,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,30,17,18,27,16,19,7,9,6,10,26,28,8,5,15,20,12,11,13,22,23,2,25,14,24,29,21/E:(1,2,3)(10,11)(12,13)/rA:30cCCCCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO4 |
All Atoms: | 57 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3884 |
Area: | 639.657 |
Solvation: | -4.603 |
Coulombic: | -44.5556 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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