Chemical ID: 4238880

Cc1c(c(=O)[nH]c(n1)SCC(=O)Nc2cc(cc(c2)Cl)Cl)CC=C
Chemical ID:
4238880
Name [?]:
2-[(5-allyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)-acetamide
SMILES [?]:
Cc1c(c(=O)[nH]c(n1)SCC(=O)Nc2cc(cc(c2)Cl)Cl)CC=C
InChi [?]:
InChI=1/C16H15Cl2N3O2S/c1-3-4-13-9(2)19-16(21-15(13)23)24-8-14(22)20-12-6-10(17)5-11(18)7-12/h3,5-7H,1,4,8H2,2H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:24,1,23,22,17,15,19,10,2,16,18,14,3,11,4,7,21,20,8,13,6,12,5,9/E:(6,7)(10,11)(17,18)/rA:24nCCCCONCNSCCONCCCCCCClClCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;s3;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15Cl2N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.7529
Area:600.802
Solvation:-3.26716
Coulombic:-47.9904
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:384.281
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):3.82

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Descriptor Annotations

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