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Chemical ID: 4904448
Chemical ID:
4904448
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC(C)C
InChi [?]:
InChI=1/C27H31NO4/c1-16(2)19-8-10-20(11-9-19)24-23-25(29)21-15-18(5)7-12-22(21)32-26(23)27(30)28(24)13-6-14-31-17(3)4/h7-12,15-17,24H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:24,25,31,32,1,27,3,19,21,18,22,4,26,28,7,23,30,2,20,17,6,5,10,16,8,11,13,15,9,14,29,12/E:(1,2)(3,4)(8,9)(10,11)/rA:32cCCCCCCCCOCCOCONCCCCCCCCCCCCCOCCC/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;s15;s26;s27;s28;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31NO4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9556 |
Area: | 696.579 |
Solvation: | -4.45888 |
Coulombic: | -44.4296 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 433.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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