Chemical ID: 4904448

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)C(C)C)CCCOC(C)C
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

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Descriptor Annotations

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