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Chemical ID: 6621603

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)CNS(=O)(=O)c3ccc(cc3)Cl

Chemical ID:

6621603

Name [?]:

[4-[[2-(4-chlorophenyl)sulfonylaminoacetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)CNS(=O)(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H22ClN3O6S/c1-16-3-6-18(7-4-16)24(30)34-21-12-5-17(13-22(21)33-2)14-26-28-23(29)15-27-35(31,32)20-10-8-19(25)9-11-20/h3-14,27H,15H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,18,3,7,13,4,6,31,33,30,34,12,15,19,24,2,14,5,32,29,11,16,22,8,35,20,25,21,23,9,27,28,17,10,26/E:(3,4)(6,7)(8,9)(10,11)(31,32)/CRV:35.6/rA:35nCCCCCCCCOOCCCCCCOCCNNCOCNSOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;w19;s20;s21;d22;s22;s24;s25;d26;d26;s26;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂ClN₃O₆S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4745
Area:	775.61
Solvation:	-6.9158
Coulombic:	-58.3073

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	515.967
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	4.82
LogP (Chemaxon):	4.11

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