590397-27-6
BENZAMIDE, N-[[[3-(5,6-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-4-ETHOXY-3-NITRO-
Name
BENZAMIDE, N-[[[3-(5,6-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-4-ETHOXY-3-NITRO-
Formula
C26 H24 N4 O5 S
MolWeight
504.565
1Identification
【Name】
BENZAMIDE, N-[[[3-(5,6-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-4-ETHOXY-3-NITRO-
【CAS】
【MDL】
MFCD04083049
【English Synonyms】
BENZAMIDE, N-[[[3-(5,6-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-4-ETHOXY-3-NITRO-
【Formula】
C26 H24 N4 O5 S
【MolWeight】
504.565
【Inchi】
InChI=1S/C26H24N4O5S/c1-5-34-22-10-9-17(13-21(22)30(32)33)24(31)29-26(36)28-19-8-6-7-18(16(19)4)25-27-20-11-14(2)15(3)12-23(20)35-25/h6-13H,5H2,1-4H3,(H2,28,29,31,36)
【InChIKey】
InChIKey=WKOWIBKGTSOJKT-UHFFFAOYSA-N
【SMILES】
CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2cccc(c2C)c3nc4cc(c(cc4o3)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:6.0
Bulk/Fine:F