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Chemical ID: 7315535

Chemical ID:

7315535

Name [?]:

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

SMILES [?]:

CCNC(=O)NC(=O)C(C)Sc1nnc(o1)c2ccccc2

InChi [?]:

InChI=1/C14H16N4O3S/c1-3-15-13(20)16-11(19)9(2)22-14-18-17-12(21-14)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,15,16,19,20)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₄O₃S
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.36689
Area:	536.966
Solvation:	-4.05725
Coulombic:	-57.5873

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	320.368
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.36
LogP (Chemaxon):	1.68

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