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Chemical ID: 7326914

Chemical ID:

7326914

Name [?]:

N-(ethylcarbamoyl)-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

SMILES [?]:

CCNC(=O)NC(=O)C(C)Sc1nnc(o1)c2ccc(cc2)C

InChi [?]:

InChI=1/C15H18N4O3S/c1-4-16-14(21)17-12(20)10(3)23-15-19-18-13(22-15)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H2,16,17,20,21)

InChi Info:

AuxInfo=1/1/N:1,23,10,2,19,21,18,22,20,9,17,7,15,4,12,3,6,14,13,8,5,16,11/E:(5,6)(7,8)/rA:23cCCNCONCOCCSCNNCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₄O₃S
All Atoms:	41
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.93466
Area:	559.765
Solvation:	-4.05947
Coulombic:	-57.3387

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.395
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.79
LogP (Chemaxon):	2.14

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