87447-47-0
(2S-CIS)-3-(ACETYLOXY)2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
Name
(2S-CIS)-3-(ACETYLOXY)2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
Formula
C18 H17 N O4 S
MolWeight
343.401
1Identification
【Name】
(2S-CIS)-3-(ACETYLOXY)2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
【CAS】
【MDL】
MFCD00153902
【English Synonyms】
【Formula】
C18 H17 N O4 S
【MolWeight】
343.401
【Inchi】
InChI=1S/C18H17NO4S/c1-11(20)23-16-17(12-7-9-13(22-2)10-8-12)24-15-6-4-3-5-14(15)19-18(16)21/h3-10,16-17H,1-2H3,(H,19,21)/t16-,17+/m1/s1
【InChIKey】
InChIKey=WKLRIRQZTCFCSE-SJORKVTESA-N
【SMILES】
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2NC1=O)c3ccc(cc3)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2S-CIS)-3-(ACETYLOXY)2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE.cml
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