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Chemical ID: 4796825

Cc1cc2c(c(c1Cl)C)c(cc(=O)o2)CN3CCN(CC3)c4ccccc4

Chemical ID:

4796825

Name [?]:

6-chloro-5,7-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one

SMILES [?]:

Cc1cc2c(c(c1Cl)C)c(cc(=O)o2)CN3CCN(CC3)c4ccccc4

InChi [?]:

InChI=1/C22H23ClN2O2/c1-15-12-19-21(16(2)22(15)23)17(13-20(26)27-19)14-24-8-10-25(11-9-24)18-6-4-3-5-7-18/h3-7,12-13H,8-11,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,25,24,26,23,27,17,21,18,20,3,11,15,2,6,10,22,4,12,5,7,8,16,19,13,14/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCClCCCCOOCNCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s11;d12;s4s12;s10;s15;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₂O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3379
Area:	575.643
Solvation:	-3.05318
Coulombic:	-31.5628

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	382.883
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.33
LogP (Chemaxon):	5.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value