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Chemical ID: 4802453

Cc1cc2c(cc1Cl)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)OC

Chemical ID:

4802453

Name [?]:

6-chloro-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one

SMILES [?]:

Cc1cc2c(cc1Cl)c(cc(=O)o2)CN3CCN(CC3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C22H23ClN2O3/c1-15-11-21-19(13-20(15)23)16(12-22(26)28-21)14-24-7-9-25(10-8-24)17-3-5-18(27-2)6-4-17/h3-6,11-13H,7-10,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,28,22,26,23,25,16,20,17,19,3,10,6,14,2,9,21,24,5,7,4,11,8,15,18,12,27,13/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCClCCCOOCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s4s11;s9;s14;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃ClN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5425
Area:	604.938
Solvation:	-4.58095
Coulombic:	-37.4947

Bond Count [?]

All:	31
Single:	23
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	398.882
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.02
LogP (Chemaxon):	4.69

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value