915731-88-3
[4-(2,4-DICHLOROPHENYL)-6-DIMETHYLCARBAMOYLMETHYL-2-METHYL-5-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-3-YLMETHYL]CARBAMIC ACID TERT-BUTYL ESTER
Name[4-(2,4-DICHLOROPHENYL)-6-DIMETHYLCARBAMOYLMETHYL-2-METHYL-5-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-3-YLMETHYL]CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[4-(2,4-DICHLOROPHENYL)-6-DIMETHYLCARBAMOYLMETHYL-2-METHYL-5-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-3-YLMETHYL]CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD11865321
【English Synonyms】
【Formula】
C24 H28 Cl2 N4 O4
【MolWeight】
507.415
【Inchi】
InChI=1S/C24H28Cl2N4O4/c1-13-16(10-27-23(33)34-24(2,3)4)20(15-8-7-14(25)9-17(15)26)21-18(28-13)11-30(22(21)32)12-19(31)29(5)6/h7-9H,10-12H2,1-6H3,(H,27,33)
【InChIKey】
InChIKey=HSVXHHPSHKHTFV-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CNC(=O)OC(C)(C)C
【MOL File】
[4-(2,4-DICHLOROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[4-(2,4-DICHLOROPHENYL)-6-DIMETHYLCARBAMOYLMETHYL-2-METHYL-5-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-3-YLMETHYL]CARBAMIC ACID TERT-BUTYL ESTER.cml