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Chemical ID: 7080513
Chemical ID:
7080513
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)(C)C)CCCOC
InChi [?]:
InChI=1/C26H29NO4/c1-16-7-12-20-19(15-16)23(28)21-22(17-8-10-18(11-9-17)26(2,3)4)27(13-6-14-30-5)25(29)24(21)31-20/h7-12,15,22H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,31,28,3,18,22,19,21,4,27,29,7,2,17,20,6,5,10,16,8,11,13,23,15,9,14,30,12/E:(2,3,4)(8,9)(10,11)/rA:31cCCCCCCCCOCCOCONCCCCCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;s15;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO4 |
All Atoms: | 60 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.957 |
Area: | 662.726 |
Solvation: | -4.61114 |
Coulombic: | -44.3363 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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