139119-52-1
(S)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-TETRAHYDRO-4(1H)-PYRIMIDINONE
Name(S)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-TETRAHYDRO-4(1H)-PYRIMIDINONE
1Identification
【Name】
(S)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-TETRAHYDRO-4(1H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD16876490
【English Synonyms】
【Formula】
C16 H22 N2 O2
【MolWeight】
274.362
【Inchi】
InChI=1S/C16H22N2O2/c1-16(2,3)15-17(4)13(19)10-11-18(15)14(20)12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
【InChIKey】
InChIKey=XEOBSMIUNSHXJO-HNNXBMFYSA-N
【SMILES】
CC(C)(C)[C@H]1N(C(=O)CCN1C(=O)c2ccccc2)C
【MOL File】
(S)-1-BENZOYL-2-TERT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S)-1-BENZOYL-2-TERT-BUTYL-3-METHYL-TETRAHYDRO-4(1H)-PYRIMIDINONE.cml