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Chemical ID: 7263578

c1cc(oc1)CN2CC(CC2=O)C(=O)N3CCN(CC3)Cc4ccc5c(c4)OCO5

Chemical ID:

7263578

Name [?]:

4-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-(2-furylmethyl)pyrrolidin-2-one

SMILES [?]:

c1cc(oc1)CN2CC(CC2=O)C(=O)N3CCN(CC3)Cc4ccc5c(c4)OCO5

InChi [?]:

InChI=1/C22H25N3O5/c26-21-11-17(13-25(21)14-18-2-1-9-28-18)22(27)24-7-5-23(6-8-24)12-16-3-4-19-20(10-16)30-15-29-19/h1-4,9-10,17H,5-8,11-15H2

InChi Info:

AuxInfo=1/0/N:1,2,23,24,17,19,16,20,5,27,10,21,8,6,29,22,9,3,25,26,11,13,18,15,7,12,14,4,30,28/E:(5,6)(7,8)/rA:30cCCCOCCNCCCCOCONCCNCCCCCCCCCOCO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;s7s10;d11;s9;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅N₃O₅
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	8.56961
Area:	630.305
Solvation:	-7.18802
Coulombic:	-56.891

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	411.451
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	0.33
LogP (Chemaxon):	0.69

Name Annotations

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

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