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Chemical ID: 7096161

C=CCOc1ccc(cc1)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O

Chemical ID:

7096161

Name [?]:

N-(4-allyloxyphenyl)-2-(7,7,9-trioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide

SMILES [?]:

C=CCOc1ccc(cc1)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O

InChi [?]:

InChI=1/C18H16N2O5S/c1-2-11-25-14-9-7-13(8-10-14)19-17(21)12-20-18(22)15-5-3-4-6-16(15)26(20,23)24/h2-10H,1,11-12H2,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,20,21,19,22,7,9,6,10,3,14,8,5,18,23,12,16,11,15,13,17,25,26,4,24/E:(7,8)(9,10)(23,24)/CRV:26.6/rA:26nCCCOCCCCCCNCOCNCOCCCCCCSOO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂O₅S
All Atoms:	42
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.18215
Area:	570.899
Solvation:	-5.09033
Coulombic:	-45.8063

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	372.396
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	1.86
LogP (Chemaxon):	2.18

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