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Chemical ID: 6041958

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCc3ccccc3

Chemical ID:

6041958

Name [?]:

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

SMILES [?]:

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C23H28N2O3/c1-4-23(2,3)18-10-11-20-19(14-18)25(22(27)16-28-20)15-21(26)24-13-12-17-8-6-5-7-9-17/h5-11,14H,4,12-13,15-16H2,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,4,5,2,26,25,27,24,28,7,8,22,21,11,17,15,23,6,10,9,18,13,3,20,12,19,14,16/E:(2,3)(6,7)(8,9)/rA:28nCCCCCCCCCCCNCOCOCCONCCCCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0616
Area:	622.543
Solvation:	-4.50196
Coulombic:	-47.7403

Bond Count [?]

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

Chemical Properties

Molecular Weight:	380.48
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.22
LogP (Chemaxon):	3.57

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