Acetic Acid 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonylamino)-1,1-dimethyl-2-oxo-ethyl Ester
기본 정보
- 표준 SMILES
CC(=O)OC(C)(C)C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C- InChIKey
MDDBJNDDJHJPLK-ZWKOTPCHSA-N- 분자식
- C27H33ClFN3O7S
- 평균 분자량
- 598.1 g/mol
이름 및 식별자
- 우선 이름
- Acetic Acid 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonylamino)-1,1-dimethyl-2-oxo-ethyl Ester
- IUPAC
- [1-[[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]sulfonylamino]-2-methyl-1-oxopropan-2-yl] acetate
이름 및 동의어
SCHEMBL6076161MDDBJNDDJHJPLK-ZWKOTPCHSA-NAcetic Acid 2-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzenesulfonylamino)-1,1-dimethyl-2-oxo-ethyl Esteracetic acid 2-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5dimethyl-piperazin-1-yl]2-oxo-ethoxy}-benzenesulfonylamino)-1, 1-dimethyl-2-oxo-ethyl ester
데이터베이스 식별자
- PubChem CID
- 69655351
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
2건
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