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Chemical ID: 6210819

Chemical ID:

6210819

Name [?]:

2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

SMILES [?]:

c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCCC3

InChi [?]:

InChI=1/C16H21N3O3/c20-15(17-7-10-18-8-3-4-9-18)11-19-13-5-1-2-6-14(13)22-12-16(19)21/h1-2,5-6H,3-4,7-12H2,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,2,20,21,6,3,16,19,22,17,12,10,5,4,13,8,15,18,7,14,9,11/E:(3,4)(8,9)/rA:22nCCCCCCNCOCOCCONCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁N₃O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.95601
Area:	507.404
Solvation:	-4.72907
Coulombic:	-49.6686

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	303.356
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.33
LogP (Chemaxon):	-0.17

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value