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Chemical ID: 3966774

CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C

Chemical ID:

3966774

Name [?]:

3-ethyl-N,N-bis(3-ethyl-4-methyl-2-oxo-5H-pyrrol-5-yl)-4-methyl-2-oxo-5H-pyrrole-1-carboxamide

SMILES [?]:

CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C

InChi [?]:

InChI=1/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)

InChi Info:

AuxInfo=1/1/N:1,33,34,2,29,31,15,19,28,32,16,18,13,12,5,30,4,14,27,17,3,7,24,9,11,26,23,6,8,25,10,21,22,20/E:(5,6)(7,8)(9,10)(11,12)(32,33)/CRV:34.6/rA:34nCCCCCNCOCONCCCCCCCCSOONCONCCCCCCCC/rB:s1;s2;d3;s4;s5;s3s6;d7;s6;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;d24;s24;s26;s27;s28;s29;s30;s27s31;s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₄N₄O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7868
Area:	752.817
Solvation:	-4.0336
Coulombic:	-76.5029

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	490.617
H-Bond Donors:	3
H-Bond Acceptors:	9
XLogP:	3.11
LogP (Chemaxon):	2.93

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