기본 정보
- 표준 SMILES
CCOC(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1- InChIKey
BEBFRFMLVIJOSE-UHFFFAOYSA-N- 분자식
- C15H18ClN3O3
- 평균 분자량
- 323.77 g/mol
- 단동위원소 질량
- 323.1036691
이름 및 식별자
- 우선 이름
- Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylate
- IUPAC
- ethyl 4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
- 영어명
- ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)piperidine-1-carboxylate
- 분자식
- C15H18ClN3O3
- 분자량
- 323.77472
이름 및 동의어
Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)piperidine-1-carboxylateDTXSID40577664XBR56FU4REthyl 4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-2-yl)piperidine-1-carboxylateDTXCID50315551-Piperidinecarboxylic acid, 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-, ethyl esterEthyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylateRefChem:13873653786-46-2ethyl 4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylateethyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-1-carboxylateEthyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate
이름 더 보기
SM4-Impurity GETHYL 4-(5-CHLORO-2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-1-YL)PIPERIDINE-1-CARBOXYLATE(WXG00906)4-[(5-Chloro-2,3-dihydro-2-oxo-1H-benzimidazol)-1-yl]-1-piperidinecarboxylic acid ethyl ester
EINECS 258-776-3UNII-4XBR56FU4RCHEMBL3188658SCHEMBL11027575Tox21_113868MFCD02093841AKOS015968635NCGC00253753-01
데이터베이스 식별자
- CAS
53786-46-2- PubChem CID
- 104610
- DTXSID
DTXSID4057766- ChEMBL
CHEMBL3188658- UNII
- 4XBR56FU4R
- EC Number
- 258-776-3
- Nikkaji
- J279.504C
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 61.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 440
화학 및 산업
공급사8 곳
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