868387-46-6
CARBAMIC ACID, [4-[1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-THIENYL]-, 1,1-DIMETHYLETHYL ESTER
NameCARBAMIC ACID, [4-[1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-THIENYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
CARBAMIC ACID, [4-[1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-THIENYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD16039194
【English Synonyms】
【Formula】
C23 H23 N3 O4 S2
【MolWeight】
469.584
【Inchi】
InChI=1S/C23H23N3O4S2/c1-15-7-9-17(10-8-15)32(28,29)26-13-19(18-6-5-11-24-21(18)26)16-12-20(31-14-16)25-22(27)30-23(2,3)4/h5-14H,1-4H3,(H,25,27)
【InChIKey】
InChIKey=GRIAKDITUTUVTN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)n2cc(c3c2nccc3)c4cc(sc4)NC(=O)OC(C)(C)C
【MOL File】
CARBAMIC ACID, [4-[1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIC ACID, [4-[1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-2-THIENYL]-, 1,1-DIMETHYLETHYL ESTER.cml