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Chemical ID: 7322614

Chemical ID:

7322614

Name [?]:

N-(ethylcarbamoyl)-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

SMILES [?]:

CCNC(=O)NC(=O)C(C)Sc1nnc(n1CC)c2ccco2

InChi [?]:

InChI=1/C14H19N5O3S/c1-4-15-13(21)16-12(20)9(3)23-14-18-17-11(19(14)5-2)10-7-6-8-22-10/h6-9H,4-5H2,1-3H3,(H2,15,16,20,21)

InChi Info:

AuxInfo=1/1/N:1,18,10,2,17,21,20,22,9,19,15,7,4,12,3,6,14,13,16,8,5,23,11/rA:23cCCNCONCOCCSCNNCNCCCCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s9;s11;d12;s13;d14;s12s15;s16;s17;s15;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉N₅O₃S
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.0726
Area:	551.568
Solvation:	-4.71659
Coulombic:	-61.286

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	337.399
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.89
LogP (Chemaxon):	1.04

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