基本情報
- 標準SMILES
CN1C(=O)C(NC(=O)Nc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21- InChIKey
NKXJTSZBOBZLTH-UHFFFAOYSA-N- 分子式
- C23H19ClN4O2
- 平均分子量
- 418.9 g/mol
名称と識別子
- 優先名称
- 1-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
名称と別名
118018-41-01-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea1-(4-chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)ureaCHEMBL41361SCHEMBL9865032NKXJTSZBOBZLTH-UHFFFAOYSA-N(R)-1-(4-Chlorophenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea118101-07-8TEA01841BDBM50020268AKOS005109608MS-8651
名称をさらに表示
N-(2,5-diaza-2-methyl-3-oxo-6-phenylbicyclo[5.4.0]undeca-1(7),5,8,10-tetraen-4-yl)((4-chlorophenyl)amino)formamide4-Chlorophenyl-N'-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-urea(R)-1-(4-Chloro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea(RS)-1-(4-Chloro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea(S)-1-(4-Chloro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea1-(4-Chloro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
データベース識別子
- PubChem CID
- 10070677
- ChEMBL
CHEMBL41361- Nikkaji
- J462.798I
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 73.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 656
関連反応
3 件
化合物ノート
読み込み中…