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Chemical ID: 6143649

Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CCN3C(=O)C(=Cc4ccccc4OC)SC3=O

Chemical ID:

6143649

Name [?]:

N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[5-[(2-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]-propanamide

SMILES [?]:

Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CCN3C(=O)C(=Cc4ccccc4OC)SC3=O

InChi [?]:

InChI=1/C25H24N4O5S/c1-16-22(24(32)29(27(16)2)18-10-5-4-6-11-18)26-21(30)13-14-28-23(31)20(35-25(28)33)15-17-9-7-8-12-19(17)34-3/h4-12,15H,13-14H2,1-3H3,(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,8,32,12,11,13,27,28,26,10,14,29,18,19,24,2,25,9,30,23,16,3,21,4,34,15,7,20,6,17,22,5,35,31,33/E:(5,6)(10,11)/rA:35cCCCCONNCCCCCCCNCOCCNCOCCCCCCCCOCSCO/rB:s1;d2;s3;d4;s4;s2s6;s7;s6;s9;d10;s11;d12;d9s13;s3;s15;d16;s16;s18;s19;s20;d21;s21;w23;s24;s25;d26;s27;d28;d25s29;s30;s31;s23;s20s33;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₄O₅S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0641
Area:	729.37
Solvation:	-6.17016
Coulombic:	-73.0182

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	492.548
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.21
LogP (Chemaxon):	1.98

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