기본 정보
- 표준 SMILES
CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)NS(=O)(=O)c3ccc4cccc(OCCN5CCOCC5)c4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CN=[N+]=[N-])c(C)c1Cl- InChIKey
PIYIOEMOQIYJNS-QNGWXLTQSA-N- 분자식
- C47H54ClN9O7S
- 평균 분자량
- 924.5 g/mol
이름 및 식별자
- 우선 이름
- (S)-1-(2-(3-(azidomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(8-(2-morpholinoethoxy)naphthalen-2-ylsulfonylcarbamoyl)phenyl)-N,N-dibutyl-4-chloro-5-methyl-1H-pyrazole-3-carboxamide
- IUPAC
- 1-[2-[(3S)-3-(azidomethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[8-(2-morpholin-4-ylethoxy)naphthalen-2-yl]sulfonylcarbamoyl]phenyl]-N,N-dibutyl-4-chloro-5-methylpyrazole-3-carboxamide
이름 및 동의어
SCHEMBL14061578PIYIOEMOQIYJNS-QNGWXLTQSA-N(S)-1-(2-(3-(azidomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(8-(2-morpholinoethoxy)naphthalen-2-ylsulfonylcarbamoyl)phenyl)-N,N-dibutyl-4-chloro-5-methyl-1H-pyrazole-3-carboxamide1-(2-((S)-3-(Azidomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-4-(8-(2-morpholinoethoxy)naphthalen-2-ylsulfonylcarbamoyl)phenyl)-N,N-dibutyl-4-chloro-5-methyl-1H-pyrazole-3-carboxamide
데이터베이스 식별자
- PubChem CID
- 86718907
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,740
관련 반응
2건
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