Chemical ID: 7212654

CCn1c(c(cn1)C(=O)Nc2c(c(c(s2)C(=O)N(CC)CC)C)C#N)C
Chemical ID:
7212654
Name [?]:
N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-1-ethyl-5-methyl-pyrazole-4-carboxamide
SMILES [?]:
CCn1c(c(cn1)C(=O)Nc2c(c(c(s2)C(=O)N(CC)CC)C)C#N)C
InChi [?]:
InChI=1/C18H23N5O2S/c1-6-22(7-2)18(25)15-11(4)13(9-19)17(26-15)21-16(24)14-10-20-23(8-3)12(14)5/h10H,6-8H2,1-5H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:20,22,1,23,26,19,21,2,24,6,13,4,12,5,14,8,11,16,25,7,10,18,3,9,17,15/E:(1,2)(6,7)/rA:26nCCNCCCNCONCCCCSCONCCCCCCNC/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;s18;s21;s13;s12;t24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N5O2S
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1103
Area:587.713
Solvation:-3.58249
Coulombic:-44.3284
Bond Count [?]
All:27
Single:20
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.474
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):1.18

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Descriptor Annotations

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