기본 정보
- 표준 SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.Cl- InChIKey
DAYXLOOGUORCMH-UHFFFAOYSA-N- 분자식
- C34H40Cl3N3O5
- 평균 분자량
- 677.1 g/mol
- 단동위원소 질량
- 675.203354
이름 및 식별자
- 우선 이름
- MDL 105,212 hydrochloride
- IUPAC
- 1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide;hydrochloride
이름 및 동의어
MDL 105,212 hydrochloride167261-59-8SCHEMBL7465619DAYXLOOGUORCMH-UHFFFAOYSA-N(+)-1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoy1)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl -piperidine-4-carboxylic acid amide hydrochloride1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid amide hydrochloride
데이터베이스 식별자
- PubChem CID
- 53462564
물성
구조 계산 물성
- 극성 표면적
- 94.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 961
관련 반응
9건
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