기본 정보
- CAS
124689-64-1- 표준 SMILES
COc1ccc(CC2NC(=O)/C=C\CC(C(C)/C=C/c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl- InChIKey
QLGFKEFRTAOKJU-JIIHXHDGSA-N- 분자식
- C35H43ClN2O7
- 평균 분자량
- 639.2 g/mol
- 단동위원소 질량
- 638.2758794
개요
(13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone has been reported in Nostoc with data available.
이름 및 식별자
- 우선 이름
- (13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
- IUPAC
- (13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
이름 및 동의어
124689-64-1(13Z)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(E)-4-phenylbut-3-en-2-yl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-16-(1-methyl-3-phenyl-2-propenyl)-3-(2-methylpropyl)-
데이터베이스 식별자
- CAS
124689-64-1- PubChem CID
- 6439185
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
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