Chemical ID: 7207064

Cc1c(cn(n1)C)C(=O)Nc2c(c3c(s2)CCCCCC3)C(=O)N
Chemical ID:
7207064
Name [?]:
N-(11-carbamoyl-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)-1,3-dimethyl-pyrazole-4-carboxamide
SMILES [?]:
Cc1c(cn(n1)C)C(=O)Nc2c(c3c(s2)CCCCCC3)C(=O)N
InChi [?]:
InChI=1/C17H22N4O2S/c1-10-12(9-21(2)20-10)16(23)19-17-14(15(18)22)11-7-5-3-4-6-8-13(11)24-17/h9H,3-8H2,1-2H3,(H2,18,22)(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,7,19,18,20,17,21,16,4,2,13,3,14,12,22,8,11,24,10,6,5,23,9,15/rA:24nCCCCNNCCONCCCCSCCCCCCCON/rB:s1;s2;d3;s4;d2s5;s5;s3;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s19;s13s20;s12;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.74439
Area:533.643
Solvation:-3.59669
Coulombic:-50.08
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.448
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.8
LogP (Chemaxon):2.06

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Descriptor Annotations

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