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Chemical ID: 5302474

CC(=O)Nc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4ccc(cc4)OC)ON2c5ccccc5

Chemical ID:

5302474

Name [?]:

N-[4-[3-(4-methoxyphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4ccc(cc4)OC)ON2c5ccccc5

InChi [?]:

InChI=1/C26H23N3O5/c1-16(30)27-18-10-8-17(9-11-18)23-22-24(34-29(23)20-6-4-3-5-7-20)26(32)28(25(22)31)19-12-14-21(33-2)15-13-19/h3-15,22-24H,1-2H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,26,32,31,33,30,34,7,9,6,10,20,24,21,23,2,8,5,19,29,22,12,11,13,17,14,4,16,28,3,18,15,25,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCCONCCCCCCCCCCONCOCCCCCCOCONCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s14;s12s16;d17;s16;s19;d20;s21;d22;d19s23;s22;s25;s13;s11s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃N₃O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	4

ZAP Information [?]

Total:	9.69327
Area:	643.028
Solvation:	-6.38243
Coulombic:	-58.0825

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	457.478
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.45
LogP (Chemaxon):	3.3

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