기본 정보
- 표준 SMILES
COC(=O)CCCCN(CCc1ccccc1OCc1ccc(/C=C/c2ccccc2)cc1)Cc1ccc(C(=O)OC)cc1- InChIKey
QXMGVINJWKNKGR-FOCLMDBBSA-N- 분자식
- C38H41NO5
- 평균 분자량
- 591.7 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-([(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[(5-methoxy-5-oxopentyl)-[2-[2-[[4-[(E)-2-phenylethenyl]phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoate
이름 및 동의어
Methyl 4-([(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoatemethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenyl-ethenyl]benzyl}oxy)phenethyl]amino)methyl)benzoatemethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenyl-ethenyl]benzyl}oxy)phenethyl]amino}methyl)benzoateMethyl 4-({(5-methoxy-5-oxopentyl)[2-({4-[(E)-2-phenylethenyl]benzyl}-oxy)phenethyl]amino}methyl)benzoateSCHEMBL2996712QXMGVINJWKNKGR-FOCLMDBBSA-N
데이터베이스 식별자
- PubChem CID
- 22015012
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 838
관련 반응
6건
화합물 노트
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