141177-53-9
10H-PHENOTHIAZINE, 10-(((TETRAHYDRO-5-((4-MORPHOLINYLAMINO)METHYL)-4,6-DIOXO-3-PHENYL-2-THIOXO-1(2H)-PYRIMIDINYL)AMINO)ACETYL)-
Name10H-PHENOTHIAZINE, 10-(((TETRAHYDRO-5-((4-MORPHOLINYLAMINO)METHYL)-4,6-DIOXO-3-PHENYL-2-THIOXO-1(2H)-PYRIMIDINYL)AMINO)ACETYL)-
1Identification
【Name】
10H-PHENOTHIAZINE, 10-(((TETRAHYDRO-5-((4-MORPHOLINYLAMINO)METHYL)-4,6-DIOXO-3-PHENYL-2-THIOXO-1(2H)-PYRIMIDINYL)AMINO)ACETYL)-
【CAS】
【MDL】
MFCD01706758
【English Synonyms】
【Formula】
C29 H28 N6 O4 S2
【MolWeight】
588.71
【Inchi】
InChI=1S/C29H28N6O4S2/c36-26(34-22-10-4-6-12-24(22)41-25-13-7-5-11-23(25)34)19-31-35-28(38)21(18-30-32-14-16-39-17-15-32)27(37)33(29(35)40)20-8-2-1-3-9-20/h1-13,21,30-31H,14-19H2
【InChIKey】
InChIKey=IYQCAIPEFAHVIH-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3c4ccccc4Sc5c3cccc5)CNN6CCOCC6
【MOL File】
10H-PHENOTHIAZINE, 1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10H-PHENOTHIAZINE, 10-(((TETRAHYDRO-5-((4-MORPHOLINYLAMINO)METHYL)-4,6-DIOXO-3-PHENYL-2-THIOXO-1(2H)-PYRIMIDINYL)AMINO)ACETYL)-.cml