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Chemical ID: 7355760

Cc1c(c(no1)c2ccccc2)C(=O)OCc3ccc(cc3)c4ccccc4

Chemical ID:

7355760

Name [?]:

(4-phenylphenyl)methyl 5-methyl-3-phenyl-isoxazole-4-carboxylate

SMILES [?]:

Cc1c(c(no1)c2ccccc2)C(=O)OCc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C24H19NO3/c1-17-22(23(25-28-17)21-10-6-3-7-11-21)24(26)27-16-18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2-15H,16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,26,10,25,27,9,11,24,28,8,12,18,22,19,21,16,2,17,23,20,7,3,4,13,5,14,15,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCCNOCCCCCCCOOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉NO₃
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1123
Area:	607.548
Solvation:	-3.07638
Coulombic:	-27.5218

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	369.413
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.34
LogP (Chemaxon):	5.66

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