N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-[2-(4-methylphenyl)sulfonylimino-5-propan-2-yl-1,3,4-thiadiazol-3-yl]-3-oxopentanamide
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기본 정보
- CAS
66210-62-6- 표준 SMILES
CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3nc(C(C)C)sc3=NS(=O)(=O)c3ccc(C)cc3)c2)c(C(C)(C)CC)c1- InChIKey
MBGFJAVSRUZAQK-UHFFFAOYSA-N- 분자식
- C45H60ClN5O6S2
- 평균 분자량
- 866.6 g/mol
- 단동위원소 질량
- 865.3673547
이름 및 식별자
- 우선 이름
- N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-[2-(4-methylphenyl)sulfonylimino-5-propan-2-yl-1,3,4-thiadiazol-3-yl]-3-oxopentanamide
- IUPAC
- N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-2-[2-(4-methylphenyl)sulfonylimino-5-propan-2-yl-1,3,4-thiadiazol-3-yl]-3-oxopentanamide
- 영어명
- N-[2-chloro-5-[[4-(2,4-di-tert-pentylphenoxy)-1-oxobutyl]amino]phenyl]-alpha-(2,2-dimethyl-1-oxopropyl)-5-isopropyl-2-[(p-tolylsulphonyl)imino]-1,3,4-thiadiazol-3(2H)-acetamide
- 분자식
- C45H60ClN5O6S2
- 분자량
- 866.57
이름 및 동의어
DTXSID40109844066210-62-6NS00055133N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-I+/--(2,2-dimethyl-1-oxopropyl)-5-(1-methylethyl)-2-[[(4-methylphenyl)sulfonyl]imino]-1,3,4-thiadiazole-3(2H)-acetamideN-[2-chloro-5-[[4-(2,4-di-tert-pentylphenoxy)-1-oxobutyl]amino]phenyl]-alpha-(2,2-dimethyl-1-oxopropyl)-5-isopropyl-2-[(p-tolylsulphonyl)imino]-1,3,4-thiadiazol-3(2H)-acetamideN-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-α-(2,2-dimethyl-1-oxopropyl)-5-(1-methylethyl)-2-[[(4-methylphenyl)sulfonyl]imino]-1,3,4-thiadiazole-3(2H)-acetamide1,3,4-Thiadiazole-3(2H)-acetamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-α-(2,2-dimethyl-1-oxopropyl)-5-(1-methylethyl)-2-[[(4-methylphenyl)sulfonyl]imino]-
데이터베이스 식별자
- CAS
66210-62-6
물성
구조 계산 물성보충 중
- XLogP
- 12.3
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,630
물리화학적 성질
- 밀도
- 1.206 · 1.206±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 8.93 · 8.930±0.40(predicted)
관련 반응
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