기본 정보
- CAS
260971-17-3- 표준 SMILES
CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OC- InChIKey
JYSYAEBZGDJBPK-UHFFFAOYSA-N- 분자식
- C23H31N3O5S2
- 평균 분자량
- 493.6 g/mol
- 단동위원소 질량
- 493.17051344
이름 및 식별자
- 우선 이름
- Hmr-1372
- IUPAC
- 5-tert-butyl-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide
이름 및 동의어
Z2XS4E5U3AHMR 1372HMR-13721-((5-(2-(5-tert-Butyl-2-methoxybenzamido)ethyl)-2-methoxyphenyl)sulfonyl)-3-methylthiourea260971-17-31-((5-(2-(5-tert-Butyl-o-anisamido)ethyl)-2-methoxyphenyl)sulfonyl)-3-methylthiourea1-((5-(2-(5-Tertbutyl-o-anisamido)ethyl)-2-methoxyphenyl)sulfonyl)-3-methylthiourea5-(1,1-Dimethylethyl)-2-methoxy-N-(2-(4-methoxy-3-((((methylamino)thioxomethyl)amino)sulfonyl)phenyl)ethyl)-benzamideBenzamide, 5-(1,1-dimethylethyl)-2-methoxy-N-(2-(4-methoxy-3-((((methylamino)thioxomethyl)amino)sulfonyl)phenyl)ethyl)-1-[[5-[2-(5-tertbutyl-o-anisamido)ethyl]-2-methoxyphenyl]sulfonyl]-3-methylthiourea1-[[5-[2-(5-tert-Butyl-2-methoxybenzamido)ethyl]-2-methoxyphenyl]sulfonyl]-3-methylthioureaRefChem:201170
이름 더 보기
UNII-Z2XS4E5U3ASCHEMBL726237JYSYAEBZGDJBPK-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
260971-17-3- PubChem CID
- 9913632
- UNII
- Z2XS4E5U3A
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 763
관련 반응
2건
화합물 노트
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