Chemical ID: 7341999

CCCCN(C)Cc1c(ccc2c1oc(=O)cc2c3cc4cc(ccc4oc3=O)Cl)O
Chemical ID:
7341999
Name [?]:
8-[(butyl-methyl-amino)methyl]-4-(6-chloro-2-oxo-chromen-3-yl)-7-hydroxy-chromen-2-one
SMILES [?]:
CCCCN(C)Cc1c(ccc2c1oc(=O)cc2c3cc4cc(ccc4oc3=O)Cl)O
InChi [?]:
InChI=1/C24H22ClNO5/c1-3-4-9-26(2)13-19-20(27)7-6-16-17(12-22(28)31-23(16)19)18-11-14-10-15(25)5-8-21(14)30-24(18)29/h5-8,10-12,27H,3-4,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,24,11,10,25,4,22,20,17,7,21,23,12,18,19,8,9,26,15,13,28,30,5,31,16,29,27,14/rA:31cCCCCNCCCCCCCCOCOCCCCCCCCCCOCOClO/rB:s1;s2;s3;s4;s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s12d17;s18;d19;s20;s21;d22;s23;d24;d21s25;s26;s19s27;d28;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22ClNO5
All Atoms:53
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.3217
Area:655.744
Solvation:-5.07192
Coulombic:-58.7878
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:439.888
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.62
LogP (Chemaxon):4.83

Name Annotations

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Descriptor Annotations

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