955652-49-0
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-[1-(PHENYLMETHYL)-4-PIPERIDINYL]-5-THIAZOLECARBOXAMIDE
Name2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-[1-(PHENYLMETHYL)-4-PIPERIDINYL]-5-THIAZOLECARBOXAMIDE
1Identification
【Name】
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-[1-(PHENYLMETHYL)-4-PIPERIDINYL]-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD15528274
【English Synonyms】
【Formula】
C25 H30 N4 O3 S2
【MolWeight】
498.669
【Inchi】
InChI=1S/C25H30N4O3S2/c1-17-9-10-22(18(2)15-17)34(31,32)28-25-26-19(3)23(33-25)24(30)27-21-11-13-29(14-12-21)16-20-7-5-4-6-8-20/h4-10,15,21H,11-14,16H2,1-3H3,(H,26,28)(H,27,30)
【InChIKey】
InChIKey=IHKSIGVBUURGHN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)S(=O)(=O)Nc2nc(c(s2)C(=O)NC3CCN(CC3)Cc4ccccc4)C
【MOL File】
2-[[(2,4-DIMETHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO]-4-METHYL-N-[1-(PHENYLMETHYL)-4-PIPERIDINYL]-5-THIAZOLECARBOXAMIDE.cml