基本情報
- CAS
132687-06-0- 標準SMILES
CCN1c2cc([N+](=O)[O-])ccc2N(C)C(=O)c2cccnc21- InChIKey
YCFJZPGDTZVVSM-UHFFFAOYSA-N- 分子式
- C15H14N4O3
- 平均分子量
- 298.3 g/mol
- 単同位体質量
- 298.10659032
名称と識別子
- 優先名称
- 11-Ethyl-6-methyl-9-nitropyrido(3,2-C)(1,5)benzodiazepin-5-one
- IUPAC
- 11-ethyl-6-methyl-9-nitropyrido[3,2-c][1,5]benzodiazepin-5-one
名称と別名
6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE132687-06-0KOO1113T0V11-Ethyl-6-methyl-9-nitropyrido(3,2-C)(1,5)benzodiazepin-5-one6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDOBENZODIAZEPIN-5-ONE5H-PYRIDO(2,3-B)(1,5)BENZODIAZEPIN-5-ONE, 11-ETHYL-6,11-DIHYDRO-6-METHYL-9-NITRO-6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO(2,3-B)(1,5)BENZODIAZEPIN-5-ONE2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo(9.4.0.03,?)pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one2-ethyl-10-methyl-14-nitro-2,4,10-triazatricyclo[9.4.0.03,?]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-oneRefChem:437242UNII-KOO1113T0VN11-Ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
名称をさらに表示
U0511-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneN11-Ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one1rth1051U91CHEMBL71927BDBM1642SCHEMBL8789919
データベース識別子
- CAS
132687-06-0- PubChem CID
- 447012
- DTXSID
DTXSID30157713- ChEMBL
CHEMBL71927- UNII
- KOO1113T0V
- Nikkaji
- J420.547B
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 82.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 453
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
関連反応
2 件
化合物ノート
読み込み中…