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Chemical ID: 5973460

CCN(CC)CCCC(C)NC(=O)c1ccc(o1)CN2c3ccccc3OCC2=O

Chemical ID:

5973460

Name [?]:

N-(4-diethylamino-1-methyl-butyl)-5-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide

SMILES [?]:

CCN(CC)CCCC(C)NC(=O)c1ccc(o1)CN2c3ccccc3OCC2=O

InChi [?]:

InChI=1/C23H31N3O4/c1-4-25(5-2)14-8-9-17(3)24-23(28)21-13-12-18(30-21)15-26-19-10-6-7-11-20(19)29-16-22(26)27/h6-7,10-13,17H,4-5,8-9,14-16H2,1-3H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,5,10,2,4,23,24,7,8,22,25,16,15,6,19,28,9,17,21,26,14,29,12,11,3,20,30,13,27,18/E:(1,2)(4,5)/rA:30cCCNCCCCCCCNCOCCCCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₁N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1963
Area:	678.213
Solvation:	-4.75902
Coulombic:	-60.5929

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	413.51
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.49
LogP (Chemaxon):	0.92

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