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Chemical ID: 6908100

Chemical ID:

6908100

Name [?]:

(4-chloro-2-methyl-phenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

Cc1cc(ccc1NC(=O)COC(=O)c2ccc(cc2)OC)Cl

InChi [?]:

InChI=1/C17H16ClNO4/c1-11-9-13(18)5-8-15(11)19-16(20)10-23-17(21)12-3-6-14(22-2)7-4-12/h3-9H,10H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,22,16,20,5,17,19,6,3,11,2,15,4,18,7,9,13,23,8,10,14,21,12/E:(3,4)(6,7)/rA:23nCCCCCCCNCOCOCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClNO₄
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.37624
Area:	551.834
Solvation:	-4.41962
Coulombic:	-48.4004

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	333.766
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.46
LogP (Chemaxon):	2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value