Chemical ID: 7386913

Cc1c(ccc2c1oc(=O)cc2CN(CC(C)C)CC(C)C)O
Chemical ID:
7386913
Name [?]:
4-(diisobutylaminomethyl)-7-hydroxy-8-methyl-chromen-2-one
SMILES [?]:
Cc1c(ccc2c1oc(=O)cc2CN(CC(C)C)CC(C)C)O
InChi [?]:
InChI=1/C19H27NO3/c1-12(2)9-20(10-13(3)4)11-15-8-18(22)23-19-14(5)17(21)7-6-16(15)19/h6-8,12-13,21H,9-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:17,18,21,22,1,5,4,11,15,19,13,16,20,2,12,6,3,9,7,14,23,10,8/E:(1,2,3,4)(9,10)(12,13)/rA:23nCCCCCCCOCOCCCNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s15;s16;s16;s14;s19;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO3
All Atoms:50
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.65921
Area:500.825
Solvation:-2.86141
Coulombic:-40.9916
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.423
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):4.27

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Descriptor Annotations

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