기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CC(=O)N(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)C(=O)C1- InChIKey
WTHJFJGQTBGBRJ-UHFFFAOYSA-N- 분자식
- C24H25ClN4O7S
- 평균 분자량
- 549 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl 4-{4-[5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3,5-dioxo-1-piperazinecarboxylate
- IUPAC
- tert-butyl 4-[4-[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,5-dioxopiperazine-1-carboxylate
이름 및 동의어
SCHEMBL87309BDBM8362WTHJFJGQTBGBRJ-UHFFFAOYSA-NUS8822458, 165tert-Butyl 4-{-4-[5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3,5-dioxo-1-piperazinecarboxylatetert-Butyl 4-{4-[5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxa-zolidin-3-yl]phenyl}-3,5-dioxo-1-piperazinecarboxylatetert-Butyl 4-{4-[5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3,5-dioxo-1-piperazinecarboxylatetert-Butyl 4-{4-[5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3oxazolidin-3-yl]phenyl}-3,5-dioxo-1-piperazinecarboxylate
데이터베이스 식별자
- PubChem CID
- 21070802
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 919
관련 반응
8건
화합물 노트
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