4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
-
4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
structure -
-
CAS No:
896840-85-0
-
Formula:
C18H13N3O4S2
-
Chemical Name:
4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
-
Synonyms:
ZINC5796385;ZINC9111251;STK577635;ZINC13816420;AKOS005501977;AKOS032394945;MCULE-9633796089;(E)-3-(4-hydroxybenzylidene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one;4-{(Z)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}phenolate;896840-85-0
-
CAS No:
4-amino-8-methylsulfonyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Basic Attributes
399.4 g/mol
399.03474825 g/mol
Computed Properties
Molecular Weight:399.4
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:399.03474825
Monoisotopic Mass:399.03474825
Topological Polar Surface Area:144
Heavy Atom Count:27
Complexity:965
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation