ethyl 4-{N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
기본 정보
- CAS
496935-82-1- 표준 SMILES
CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
LQPUVNFFCPMYOL-UHFFFAOYSA-N- 분자식
- C24H31N3O7S
- 평균 분자량
- 505.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-{N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
- IUPAC
- ethyl 4-[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate
- 영어명
- ethyl 4-({3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazine-1-carboxylate
- 분자식
- C24H31N3O7S
- 분자량
- 505.58
이름 및 동의어
ethyl 4-{N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylateOprea1_450109STL121334AKOS001668625ethyl 4-[2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylateAO-081/13878393ethyl 4-({3,4-dimethoxy[(4-methylphenyl)sulfonyl]anilino}acetyl)piperazine-1-carboxylate496935-82-1ethyl 4-(2-(N-(3,4-dimethoxyphenyl)-4-methylphenylsulfonamido)acetyl)piperazine-1-carboxylateETHYL 4-{2-[N-(3,4-DIMETHOXYPHENYL)4-METHYLBENZENESULFONAMIDO]ACETYL}PIPERAZINE-1-CARBOXYLATE1-Piperazinecarboxylic acid, 4-[2-[(3,4-dimethoxyphenyl)[(4-methylphenyl)sulfonyl]amino]acetyl]-, ethyl ester
데이터베이스 식별자
- CAS
496935-82-1
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 802
물리화학적 성질
- 끓는 점
- 688.4 · 688.4±65.0 °C(Predicted)
- 밀도
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.16 · 0.16±0.70(Predicted)
관련 반응
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