기본 정보
- 표준 SMILES
CC(C)(O)CON1C(C)(C)CC(OC(=O)c2ccc3nn(-c4cc(C(C)(C)C)cc(C(C)(C)c5ccc(Cl)cc5)c4O)nc3c2)CC1(C)C- InChIKey
ILJXQTIABUNPCX-UHFFFAOYSA-N- 분자식
- C39H51ClN4O5
- 평균 분자량
- 691.3 g/mol
- 단동위원소 질량
- 690.3547984
이름 및 식별자
- 우선 이름
- 5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethyl-piperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole
- IUPAC
- [1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-[5-tert-butyl-3-[2-(4-chlorophenyl)propan-2-yl]-2-hydroxyphenyl]benzotriazole-5-carboxylate
이름 및 동의어
SCHEMBL4814951ILJXQTIABUNPCX-UHFFFAOYSA-N5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethyl-piperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole5-[1-(2-Hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yloxycarbonyl]-2-[2-hydroxy-3-(4-chloro-alpha,alpha-dimethylbenzyl)-5-tert-butylphenyl]-2H-benzotriazole
데이터베이스 식별자
- PubChem CID
- 10168895
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,130
관련 반응
3건
화합물 노트
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