519148-74-4
1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-[(4-METHYL-1-PIPERAZINYL)SULFONYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-[(4-METHYL-1-PIPERAZINYL)SULFONYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-[(4-METHYL-1-PIPERAZINYL)SULFONYL]-, 1-(1,1-DIMETHYLETHYL) ESTER
【CAS】
【MDL】
MFCD11616322
【English Synonyms】
【Formula】
C18 H26 B N3 O6 S
【MolWeight】
423.295
【Inchi】
InChI=1S/C18H26BN3O6S/c1-18(2,3)28-17(23)22-15-6-5-14(11-13(15)12-16(22)19(24)25)29(26,27)21-9-7-20(4)8-10-21/h5-6,11-12,24-25H,7-10H2,1-4H3
【InChIKey】
InChIKey=NSTXUORBJMZTCP-UHFFFAOYSA-N
【SMILES】
B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)S(=O)(=O)N3CCN(CC3)C)(O)O
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 2-BORONO-5-[(4-METHYL-1-PIPERAZINYL)SULFONYL]-, 1-(1,1-DIMETHYLETHYL) ESTER.cml