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Chemical ID: 4907007

Chemical ID:

4907007

Name [?]:

N-methyl-2-oxo-N-(4-styrylphenyl)-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine

SMILES [?]:

CN(c1ccc(cc1)C=Cc2ccccc2)P3(=O)NCCCO3

InChi [?]:

InChI=1/C18H21N2O2P/c1-20(23(21)19-14-5-15-22-23)18-12-10-17(11-13-18)9-8-16-6-3-2-4-7-16/h2-4,6-13H,5,14-15H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,21,12,16,10,9,5,7,4,8,20,22,11,6,3,19,2,18,23,17/E:(3,4)(6,7)(10,11)(12,13)/rA:23cCNCCCCCCCCCCCCCCPONCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s2;d17;s17;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁N₂O₂P
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	9.44364
Area:	508.651
Solvation:	-3.27263
Coulombic:	-38.1991

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	328.345
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.11
LogP (Chemaxon):	2.9

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value