기본 정보
- CAS
303966-32-7- 표준 SMILES
CN1C(=S)SC(N2OC3C(=O)N(c4ccccc4)C(=O)C3C2c2ccc(Cl)cc2)C1(C)C- InChIKey
QIRZFAXCHZGXTJ-UHFFFAOYSA-N- 분자식
- C23H22ClN3O3S2
- 평균 분자량
- 488 g/mol
- 단동위원소 질량
- 487.0791116
이름 및 식별자
- 우선 이름
- 3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- IUPAC
- 3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
- 영어명
- 3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
- 분자식
- C23H22ClN3O3S2
- 분자량
- 488.02208
이름 및 동의어
303966-32-73-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dioneSMR0002173683-(4-Chloro-phenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-thiazolidin-5-yl)-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dioneChemDiv1_025501MLS000590369MLS003901864CHEMBL1522676HMS659H03HMS2557G05STK699625AKOS001707464
이름 더 보기
2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 3-(4-chlorophenyl)dihydro-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-5-thiazolidinyl)- (9CI)
3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dioneST090754AG-205/37107167SR-01000518443SR-01000518443-13-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxo-1,3-thiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione3-(4-chlorophenyl)-5-phenyl-2-(3,4,4-trimethyl-2-thioxothiazolidin-5-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 797
물리화학적 성질
- 끓는 점
- 668.7 · 668.7±65.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.37 · 0.37±0.60(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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