기본 정보
- CAS
5804-29-5- 표준 SMILES
COc1ccc(C2C(C(=O)OCC3CCCO3)=C(C)NC3=C2C(=O)CCC3)cc1OCc1ccccc1- InChIKey
JOVFDWUVGDJSKV-UHFFFAOYSA-N- 분자식
- C30H33NO6
- 평균 분자량
- 503.6 g/mol
- 단동위원소 질량
- 503.23078777
이름 및 식별자
- 우선 이름
- oxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- oxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
이름 및 동의어
5804-29-5AG-205/40775757(OXOLAN-2-YL)METHYL 4-[3-(BENZYLOXY)-4-METHOXYPHENYL]-2-METHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATEtetrahydrofuran-2-ylmethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateoxolan-2-ylmethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateCDS1_001776ChemDiv1_008176Oprea1_361890DivK1c_002816HMS610D14DTXSID30386708STK046801
이름 더 보기
AKOS002125422AKOS021614381ST052444EU-0042528SR-01000471730SR-01000471730-1oxolan-2-ylmethyl 4-[4-methoxy-3-(phenylmethoxy)phenyl]-2-methyl-5-oxo-1,4,6,7 ,8-pentahydroquinoline-3-carboxylatetetrahydro-2-furanylmethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
데이터베이스 식별자
- CAS
5804-29-5- PubChem CID
- 2869733
- DTXSID
DTXSID30386708
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 904
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