Acetic acid (2RS,4aRS,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl ester

HCID 67023839

기본 정보

표준 SMILES
CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=NC1CCC(OC(C)=O)CC21
InChIKey
MGVCUQWCZGACFF-UHFFFAOYSA-N
분자식
C25H30N2O6
평균 분자량
454.5 g/mol

이름 및 식별자

우선 이름
Acetic acid (2RS,4aRS,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl ester
IUPAC
[6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] acetate

이름 및 동의어

SCHEMBL1414991MGVCUQWCZGACFF-UHFFFAOYSA-Nacetic acid (2RS,4aR S,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl esteracetic acid (2RS,4aRS, 10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl esterAcetic acid (2RS,4aRS,10bRS)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-yl ester

데이터베이스 식별자

PubChem CID
67023839

물성

구조 계산 물성

XLogP
3.8
극성 표면적
88.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
33

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