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Chemical ID: 7321143

Chemical ID:

7321143

Name [?]:

N-methyl-N-phenyl-2-(4-phenylthiazol-2-yl)sulfanyl-propanamide

SMILES [?]:

CC(C(=O)N(C)c1ccccc1)Sc2nc(cs2)c3ccccc3

InChi [?]:

InChI=1/C19H18N2OS2/c1-14(18(22)21(2)16-11-7-4-8-12-16)24-19-20-17(13-23-19)15-9-5-3-6-10-15/h3-14H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,6,22,10,21,23,9,11,20,24,8,12,17,2,19,7,16,3,14,15,5,4,18,13/E:(5,6)(7,8)(9,10)(11,12)/rA:24cCCCONCCCCCCCSCNCCSCCCCCC/rB:s1;s2;d3;s3;s5;s5;s7;d8;s9;d10;d7s11;s2;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₂OS₂
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	11.0269
Area:	562.207
Solvation:	-3.02831
Coulombic:	-24.7736

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	354.491
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.14
LogP (Chemaxon):	5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value