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Chemical ID: 6041960

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)c3ccccc3

Chemical ID:

6041960

Name [?]:

2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-N-(1-phenylethyl)acetamide

SMILES [?]:

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)c3ccccc3

InChi [?]:

InChI=1/C23H28N2O3/c1-5-23(3,4)18-11-12-20-19(13-18)25(22(27)15-28-20)14-21(26)24-16(2)17-9-7-6-8-10-17/h6-13,16H,5,14-15H2,1-4H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,22,4,5,2,26,25,27,24,28,7,8,11,17,15,21,23,6,10,9,18,13,3,20,12,19,14,16/E:(3,4)(7,8)(9,10)/rA:28cCCCCCCCCCCCNCOCOCCONCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	10.9084
Area:	611.339
Solvation:	-4.37509
Coulombic:	-47.9169

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	380.48
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.59
LogP (Chemaxon):	3.74

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