Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylate

HCID 104610CAS 53786-46-2

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

화학 및 산업

공급사8 곳

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上海澜克医药科技有限公司021-52216295 lankepharma
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