Chemical ID: 6283961

CCn1c2ccc(cc2sc1=NC(=O)C(C)(C)C)C
Chemical ID:
6283961
Name [?]:
N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-2,2-dimethyl-propanamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)C(C)(C)C)C
InChi [?]:
InChI=1/C15H20N2OS/c1-6-17-11-8-7-10(2)9-12(11)19-14(17)16-13(18)15(3,4)5/h7-9H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,16,17,18,2,6,5,8,7,4,9,13,11,15,12,3,14,10/E:(3,4,5)/rA:19nCCNCCCCCCSCNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.67799
Area:445.145
Solvation:-1.45064
Coulombic:-24.4737
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:276.398
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):5.56

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Descriptor Annotations

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