955640-89-8
4-METHYL-N-(PHENYLMETHYL)-2-[(PHENYLSULFONYL)AMINO]-5-THIAZOLECARBOXAMIDE
Name4-METHYL-N-(PHENYLMETHYL)-2-[(PHENYLSULFONYL)AMINO]-5-THIAZOLECARBOXAMIDE
1Identification
【Name】
4-METHYL-N-(PHENYLMETHYL)-2-[(PHENYLSULFONYL)AMINO]-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD11989215
【English Synonyms】
【Formula】
C18 H17 N3 O3 S2
【MolWeight】
387.482
【Inchi】
InChI=1S/C18H17N3O3S2/c1-13-16(17(22)19-12-14-8-4-2-5-9-14)25-18(20-13)21-26(23,24)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
【InChIKey】
InChIKey=QDBPXDMRKXZIHD-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccccc2)C(=O)NCc3ccccc3
【MOL File】
4-METHYL-N-(PHENYLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-N-(PHENYLMETHYL)-2-[(PHENYLSULFONYL)AMINO]-5-THIAZOLECARBOXAMIDE.cml