기본 정보
- CAS
180465-66-1- 표준 SMILES
CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12- InChIKey
OLXINLRWNLWQGH-HSZRJFAPSA-N- 분자식
- C28H37N3O6S
- 평균 분자량
- 543.7 g/mol
- 단동위원소 질량
- 543.24030708
이름 및 식별자
- 우선 이름
- Carbamic acid, N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
- 영어명
- (R)-tert-butyl (3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)carbamate
- 분자식
- C28H37N3O6S
- 분자량
- 543.67
이름 및 동의어
180465-66-1Carbamic acid, N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1'-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]-, 1,1-dimethylethyl esterSCHEMBL12798323DTXSID7011007691,1-Dimethylethyl N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4a(2)-piperidin]-1a(2)-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]carbamatetert-butyl N-[(2R)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxo-3-phenylmethoxypropan-2-yl]carbamatetert-butyl (R)-(3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)carbamate(R)-tert-butyl (3-(benzyloxy)-1-(1-(methylsulfonyl)spiro[indoline-3,4'-piperidin]-1'-yl)-1-oxopropan-2-yl)carbamatetert-butyl N-[(1R)-2-[1,2-dihydro-1-(methylsulfonyl)spiro[3H-indole-3,4′-piperidin]-1′-yl]-2-oxo-1-[(phenylmethoxy)methyl]ethyl]carbamate
데이터베이스 식별자
- CAS
180465-66-1- PubChem CID
- 11734262
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 929
물리화학적 성질
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.22 · 11.22±0.46(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사2 곳
学研惠（武汉）科技有限公司15727060112 · [email protected]
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