Chemical ID: 4784339

Cc1c(n(c(c1C#N)NC(=O)c2cccs2)CC3CC3)C
Chemical ID:
4784339
Name [?]:
N-[3-cyano-1-(cyclopropylmethyl)-4,5-dimethyl-pyrrol-2-yl]thiophene-2-carboxamide
SMILES [?]:
Cc1c(n(c(c1C#N)NC(=O)c2cccs2)CC3CC3)C
InChi [?]:
InChI=1/C16H17N3OS/c1-10-11(2)19(9-12-5-6-12)15(13(10)8-17)18-16(20)14-4-3-7-21-14/h3-4,7,12H,5-6,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,14,13,19,20,15,7,17,2,3,18,6,12,5,10,8,9,4,11,16/E:(5,6)/rA:21nCCCNCCCNNCOCCCCSCCCCC/rB:s1;d2;s3;s4;s2d5;s6;t7;s5;s9;d10;s10;d12;s13;d14;s12s15;s4;s17;s18;s18s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.377
Area:499.986
Solvation:-2.12265
Coulombic:-31.6994
Bond Count [?]
All:23
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.392
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):2.07

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Descriptor Annotations

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