118526-00-4
N-(4-CHLOROPHENYL)-N'-[4-[4-OXO-2-(PHENOXYMETHYL)-3(4H)-QUINAZOLINYL]PHENYL]THIOUREA
NameN-(4-CHLOROPHENYL)-N'-[4-[4-OXO-2-(PHENOXYMETHYL)-3(4H)-QUINAZOLINYL]PHENYL]THIOUREA
FormulaC28 H21 Cl N4 O2 S
1Identification
【Name】
N-(4-CHLOROPHENYL)-N'-[4-[4-OXO-2-(PHENOXYMETHYL)-3(4H)-QUINAZOLINYL]PHENYL]THIOUREA
【CAS】
【MDL】
MFCD01679931
【English Synonyms】
【Formula】
C28 H21 Cl N4 O2 S
【MolWeight】
513.019
【Inchi】
InChI=1S/C28H21ClN4O2S/c29-19-10-12-20(13-11-19)30-28(36)31-21-14-16-22(17-15-21)33-26(18-35-23-6-2-1-3-7-23)32-25-9-5-4-8-24(25)27(33)34/h1-17H,18H2,(H2,30,31,36)
【InChIKey】
InChIKey=AOZLUQVQJMSRIL-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OCc2nc3ccccc3c(=O)n2c4ccc(cc4)NC(=S)Nc5ccc(cc5)Cl
【MOL File】
N-(4-CHLOROPHENYL)-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-CHLOROPHENYL)-N'-[4-[4-OXO-2-(PHENOXYMETHYL)-3(4H)-QUINAZOLINYL]PHENYL]THIOUREA.cml