Synonyms
ZINC169382070; OR51901; MFCD29037150; (2S,3R)-3-Isopropyl-2-phenyl-3,4-dihydro-2h-pyrimido[2,1-b][1,3]benzothiazole; D4808; 2alpha-Phenyl-3alpha-isopropyl-3,4-dihydro-2H-pyrimido[2,1-b]benzothiazole;
IUPAC Name
(2S,3R)-2-phenyl-3-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazole;
Molecular Weight
308.443g/mol
Molecular Formula
C19H20N2S;
Canonical SMILES
CC(C)C1CN2C3=CC=CC=C3SC2=NC1C4=CC=CC=C4;
InChI
InChI=1S/C19H20N2S/c1-13(2)15-12-21-16-10-6-7-11-17(16)22-19(21)20-18(15)14-8-4-3-5-9-14/h3-11,13,15,18H,12H2,1-2H3/t15-,18+/m0/s1;
InChI Key
RPBRMANNSNGNFS-MAUKXSAKSA-N;
Complexity
427
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
308.135g/mol
H-Bond Acceptor
2
Heavy Atom Count
22
Monoisotopic Mass
308.135g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
40.9A^2
