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Chemical ID: 5973584

CCOC(=O)C1CCN(CC1)C(=O)c2ccc(o2)CN3c4cc(ccc4OCC3=O)C(=O)C

Chemical ID:

5973584

Name [?]:

ethyl 1-[[5-[(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-2-furyl]carbonyl]piperidine-4-carboxylate

SMILES [?]:

CCOC(=O)C1CCN(CC1)C(=O)c2ccc(o2)CN3c4cc(ccc4OCC3=O)C(=O)C

InChi [?]:

InChI=1/C24H26N2O7/c1-3-31-24(30)16-8-10-25(11-9-16)23(29)21-7-5-18(33-21)13-26-19-12-17(15(2)27)4-6-20(19)32-14-22(26)28/h4-7,12,16H,3,8-11,13-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,33,2,24,16,25,15,7,11,8,10,22,19,28,31,6,23,17,21,26,14,29,12,4,9,20,32,30,13,5,3,27,18/E:(8,9)(10,11)/rA:33nCCOCOCCCNCCCOCCCCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;s27;s20s28;d29;s23;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₂O₇
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.745
Area:	677.281
Solvation:	-6.18697
Coulombic:	-75.1463

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	454.473
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	1.26
LogP (Chemaxon):	-0.03

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