515130-34-4
1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 7-[(1,1-DIMETHYLETHOXY)CARBONYL]-6,7-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE
Name1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 7-[(1,1-DIMETHYLETHOXY)CARBONYL]-6,7-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE
1Identification
【Name】
1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 7-[(1,1-DIMETHYLETHOXY)CARBONYL]-6,7-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD08460321
【English Synonyms】
【Formula】
C12 H20 N2 O6 S
【MolWeight】
320.364
【Inchi】
InChI=1S/C12H20N2O6S/c1-12(2,3)20-11(16)14-8-6-5-7-13(21(14,17)18)9-10(15)19-4/h5-6H,7-9H2,1-4H3
【InChIKey】
InChIKey=KZHZKYFLCREYQN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CC=CCN(S1(=O)=O)CC(=O)OC
【MOL File】
1,2,7-THIADIAZEPINE-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,7-THIADIAZEPINE-2(3H)-ACETIC ACID, 7-[(1,1-DIMETHYLETHOXY)CARBONYL]-6,7-DIHYDRO-, METHYL ESTER, 1,1-DIOXIDE.cml