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Chemical ID: 4807003

Cc1cc2c(cc(=O)oc2cc1C)CN3CCC(CC3)Cc4ccccc4

Chemical ID:

4807003

Name [?]:

4-[(4-benzyl-1-piperidyl)methyl]-6,7-dimethyl-chromen-2-one

SMILES [?]:

Cc1cc2c(cc(=O)oc2cc1C)CN3CCC(CC3)Cc4ccccc4

InChi [?]:

InChI=1/C24H27NO2/c1-17-12-22-21(15-24(26)27-23(22)13-18(17)2)16-25-10-8-20(9-11-25)14-19-6-4-3-5-7-19/h3-7,12-13,15,20H,8-11,14,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,25,24,26,23,27,17,19,16,20,3,11,21,6,14,2,12,22,18,5,4,10,7,15,8,9/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCOOCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s7;s4s9;d10;d2s11;s12;s5;s14;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₇NO₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8945
Area:	584.57
Solvation:	-2.71972
Coulombic:	-26.1214

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	361.477
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.13
LogP (Chemaxon):	5.6

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