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Chemical ID: 4575349

CCC(=O)NCCc1c2ccccc2[nH]c1C=C3C(=O)NC(=S)N(C3=O)c4ccccc4OC

Chemical ID:

4575349

Name [?]:

N-[2-[2-[[1-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-1H-indol-3-yl]ethyl]propanamide

SMILES [?]:

CCC(=O)NCCc1c2ccccc2[nH]c1C=C3C(=O)NC(=S)N(C3=O)c4ccccc4OC

InChi [?]:

InChI=1/C25H24N4O4S/c1-3-22(30)26-13-12-16-15-8-4-5-9-18(15)27-19(16)14-17-23(31)28-25(34)29(24(17)32)20-10-6-7-11-21(20)33-2/h4-11,14,27H,3,12-13H2,1-2H3,(H,26,30)(H,28,31,34)

InChi Info:

AuxInfo=1/1/N:1,34,2,11,12,29,30,10,13,28,31,7,6,17,9,8,18,14,16,27,32,3,19,25,22,5,15,21,24,4,20,26,33,23/rA:34nCCCONCCCCCCCCCNCCCCONCSNCOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;w17;s18;d19;s19;s21;d22;s22;s18s24;d25;s24;s27;d28;s29;d30;d27s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₄O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0533
Area:	705.161
Solvation:	-5.57569
Coulombic:	-76.4285

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	476.549
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.46
LogP (Chemaxon):	3.09

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