Chemical ID: 4447088

Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)C(=O)OC
Chemical ID:
4447088
Name [?]:
methyl 4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C15H15N3O4S/c1-9-7-12(19)18-15(16-9)23-8-13(20)17-11-5-3-10(4-6-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,23,16,18,15,19,3,10,2,17,14,4,11,20,7,8,13,6,5,12,21,22,9/E:(3,4)(5,6)/rA:23nCCCCONCNSCCONCCCCCCCOOC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.48073
Area:551.489
Solvation:-4.30649
Coulombic:-64.6594
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.363
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.74
LogP (Chemaxon):1.28

Name Annotations

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Descriptor Annotations

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