735336-28-4
1-(2-[(3-BENZYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-(2-[(3-BENZYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-(2-[(3-BENZYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]ACETYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03988934
【English Synonyms】
【Formula】
C23 H23 N3 O4 S
【MolWeight】
437.518
【Inchi】
InChI=1S/C23H23N3O4S/c27-20(25-12-10-17(11-13-25)22(29)30)15-31-23-24-19-9-5-4-8-18(19)21(28)26(23)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,29,30)
【InChIKey】
InChIKey=BXKDVFVJFOKBPY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2c(=O)c3ccccc3nc2SCC(=O)N4CCC(CC4)C(=O)O
【MOL File】
1-(2-[(3-BENZYL-4-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-[(3-BENZYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]ACETYL)PIPERIDINE-4-CARBOXYLIC ACID.cml