565436-21-7
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-[[3-(ETHOXYCARBONYL)-4,5-DIMETHYL-2-THIENYL]AMINO]-2-OXOETHYL ESTER
Name1H-INDAZOLE-3-CARBOXYLIC ACID, 2-[[3-(ETHOXYCARBONYL)-4,5-DIMETHYL-2-THIENYL]AMINO]-2-OXOETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-[[3-(ETHOXYCARBONYL)-4,5-DIMETHYL-2-THIENYL]AMINO]-2-OXOETHYL ESTER
【CAS】
【MDL】
MFCD04779653
【English Synonyms】
【Formula】
C19 H19 N3 O5 S
【MolWeight】
401.441
【Inchi】
InChI=1S/C19H19N3O5S/c1-4-26-18(24)15-10(2)11(3)28-17(15)20-14(23)9-27-19(25)16-12-7-5-6-8-13(12)21-22-16/h5-8H,4,9H2,1-3H3,(H,20,23)(H,21,22)
【InChIKey】
InChIKey=BKYCZVPCUIGSPM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(sc1NC(=O)COC(=O)c2c3ccccc3[nH]n2)C)C
【MOL File】
1H-INDAZOLE-3-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-[[3-(ETHOXYCARBONYL)-4,5-DIMETHYL-2-THIENYL]AMINO]-2-OXOETHYL ESTER.cml