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Chemical ID: 6148479

Cc1ccc(cc1)N2C(=O)C3C(N(OC3C2=O)c4ccc(cc4)Cl)c5ccc(cc5OC)OC

Chemical ID:

6148479

Name [?]:

3-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-7-(p-tolyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione

SMILES [?]:

Cc1ccc(cc1)N2C(=O)C3C(N(OC3C2=O)c4ccc(cc4)Cl)c5ccc(cc5OC)OC

InChi [?]:

InChI=1/C26H23ClN2O5/c1-15-4-8-17(9-5-15)28-25(30)22-23(20-13-12-19(32-2)14-21(20)33-3)29(34-24(22)26(28)31)18-10-6-16(27)7-11-18/h4-14,22-24H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,34,32,3,7,20,22,4,6,19,23,27,26,29,2,21,5,18,28,25,30,11,12,15,9,16,24,8,13,10,17,33,31,14/E:(4,5)(6,7)(8,9)(10,11)/rA:34cCCCCCCCNCOCCNOCCOCCCCCCClCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s13;s18;d19;s20;d21;d18s22;s21;s12;s25;d26;s27;d28;d25s29;s30;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClN₂O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	4

ZAP Information [?]

Total:	8.97473
Area:	650.057
Solvation:	-7.27669
Coulombic:	-45.5216

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.924
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.17
LogP (Chemaxon):	4.7

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value