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Chemical ID: 6762318

CCc1ccc(cc1)NC(=O)c2cc3ccccc3oc2=NNS(=O)(=O)c4ccc(cc4)C(C)(C)C

Chemical ID:

6762318

Name [?]:

N-(4-ethylphenyl)-2-(4-tert-butylphenyl)sulfonylaminoimino-chromene-3-carboxamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)c2cc3ccccc3oc2=NNS(=O)(=O)c4ccc(cc4)C(C)(C)C

InChi [?]:

InChI=1/C28H29N3O4S/c1-5-19-10-14-22(15-11-19)29-26(32)24-18-20-8-6-7-9-25(20)35-27(24)30-31-36(33,34)23-16-12-21(13-17-23)28(2,3)4/h6-18,31H,5H2,1-4H3,(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,34,35,36,2,16,17,15,18,4,8,29,31,5,7,28,32,13,3,14,30,6,27,12,19,10,21,33,9,22,23,11,25,26,20,24/E:(2,3,4)(10,11)(12,13)(14,15)(16,17)(33,34)/CRV:36.6/rA:36nCCCCCCCCNCOCCCCCCCCOCNNSOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;w21;s22;s23;d24;d24;s24;s27;d28;s29;d30;d27s31;s30;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₉N₃O₄S
All Atoms:	65
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.9703
Area:	738.357
Solvation:	-3.48866
Coulombic:	-45.1276

Bond Count [?]

All:	39
Single:	25
Double:	14
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	503.614
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	7.48
LogP (Chemaxon):	7.16

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