339020-52-9
ETHYL 3-(2-(2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZINO)-2-OXOETHOXY)PYRIDO[1,2-A]INDOLE-10-CARBOXYLATE
NameETHYL 3-(2-(2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZINO)-2-OXOETHOXY)PYRIDO[1,2-A]INDOLE-10-CARBOXYLATE
1Identification
【Name】
ETHYL 3-(2-(2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZINO)-2-OXOETHOXY)PYRIDO[1,2-A]INDOLE-10-CARBOXYLATE
【CAS】
【MDL】
MFCD01443706
【English Synonyms】
【Formula】
C20 H22 N4 O4 S
【MolWeight】
414.484
【Inchi】
InChI=1S/C20H22N4O4S/c1-3-21-20(29)23-22-17(25)12-28-13-8-9-14-16(11-13)24-10-6-5-7-15(24)18(14)19(26)27-4-2/h5-11H,3-4,12H2,1-2H3,(H,22,25)(H2,21,23,29)
【InChIKey】
InChIKey=DFMDEWBTNPXELB-UHFFFAOYSA-N
【SMILES】
CCNC(=S)NNC(=O)COc1ccc2c(c1)n3ccccc3c2C(=O)OCC
【MOL File】
ETHYL 3-(2-(2-[(ETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3-(2-(2-[(ETHYLAMINO)CARBOTHIOYL]HYDRAZINO)-2-OXOETHOXY)PYRIDO[1,2-A]INDOLE-10-CARBOXYLATE.cml