155488-25-8
N-[(3R)-1-(3,3-DIMETHYL-2-OXOBUTYL)-2,3-DIHYDRO-2-OXO-5-(2-PYRIDINYL)-1H-1,4-BENZODIAZEPIN-3-YL]-N'-[3-(METHYLAMINO)PHENYL]UREA
NameN-[(3R)-1-(3,3-DIMETHYL-2-OXOBUTYL)-2,3-DIHYDRO-2-OXO-5-(2-PYRIDINYL)-1H-1,4-BENZODIAZEPIN-3-YL]-N'-[3-(METHYLAMINO)PHENYL]UREA
1Identification
【Name】
N-[(3R)-1-(3,3-DIMETHYL-2-OXOBUTYL)-2,3-DIHYDRO-2-OXO-5-(2-PYRIDINYL)-1H-1,4-BENZODIAZEPIN-3-YL]-N'-[3-(METHYLAMINO)PHENYL]UREA
【CAS】
【MDL】
MFCD00937935
【English Synonyms】
【Formula】
C28 H30 N6 O3
【MolWeight】
498.584
【Inchi】
InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
【InChIKey】
InChIKey=YDZYKNJZCVIKPP-VWLOTQADSA-N
【SMILES】
CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@H](C1=O)NC(=O)Nc3cccc(c3)NC)c4ccccn4
【MOL File】
N-[(3R)-1-(3,3-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[(3R)-1-(3,3-DIMETHYL-2-OXOBUTYL)-2,3-DIHYDRO-2-OXO-5-(2-PYRIDINYL)-1H-1,4-BENZODIAZEPIN-3-YL]-N'-[3-(METHYLAMINO)PHENYL]UREA.cml