(S)-4-(tert-Butyl)-2-(2-((R)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)-1,3-diphenylpropan-2-yl)-4,5-dihydrooxazole
기본 정보
- CAS
2634687-78-6- 표준 SMILES
CC(C)(C)[C@@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)(C)C)CO2)=N1- InChIKey
GKBCJHLRVUHQRT-PSWAGMNNSA-N- 분자식
- C29H38N2O2
- 평균 분자량
- 446.6 g/mol
이름 및 식별자
- 우선 이름
- (S)-4-(tert-Butyl)-2-(2-((R)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)-1,3-diphenylpropan-2-yl)-4,5-dihydrooxazole
- IUPAC
- (4S)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
- 영어명
- Oxazole, 2,2'-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4'S)-
- 분자식
- C29H38N2O2
- 분자량
- 446.62
이름 및 동의어
2634687-78-6(S)-4-(tert-Butyl)-2-(2-((R)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)-1,3-diphenylpropan-2-yl)-4,5-dihydrooxazoleC29H38N2O2AKOS040768752BS-46451E75236(4R)-2-[1-benzyl-1-[(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]-2-phenyl-ethyl]-4-tert-butyl-4,5-dihydrooxazole(4R)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole(R)-4-(tert-Butyl)-2-(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)-1,3-diphenylpropan-2-yl)-4,5-dihydrooxazolerac-(4R)-2-[1-benzyl-2-phenyl-1-[rac-(4S)-4-tert-butyl-4,5-dihydrooxazol-2-yl]ethyl]-4-tert-butyl-4,5-dihydrooxazoleOxazole, 2,2'-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4'S)-
데이터베이스 식별자
- CAS
2634687-78-6
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 43.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 653
물리화학적 성질
- 끓는 점
- 549.6 · 549.6±50.0 °C(Predicted)
- 밀도
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.55 · 5.55±0.70(Predicted)
관련 반응
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