Chemical ID: 7080457

CC(C)(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
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

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Descriptor Annotations

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