기본 정보
- CAS
359027-98-8- 표준 SMILES
COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1- InChIKey
BHMNSWYZBNVHKV-UHFFFAOYSA-N- 분자식
- C18H21NO6S
- 평균 분자량
- 379.4 g/mol
이름 및 식별자
- 우선 이름
- methyl N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
- IUPAC
- methyl 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
- 영어명
- [(3,4-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester
- 분자식
- C18H21NO6S
- 분자량
- 379.43
이름 및 동의어
359027-98-8methyl N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycinateMFCD01964845methyl 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetateMethyl N-(3,4-dimethoxyphenyl)-N-tosylglycinateglycine, N-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-, methyl esterMETHYL 2-[N-(3,4-DIMETHOXYPHENYL)4-METHYLBENZENESULFONAMIDO]ACETATEOprea1_271230Oprea1_856015ALBB-029407STK112799AKOS000610544
이름 더 보기
methyl 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonylamino]acetatemethyl 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]acetatemethyl 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate[(3,4-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonylamino]acetic acid methyl ester2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]acetic acid methyl ester
LS-10371CS-0323360H44670methyl 2-[3,4-dimethoxy-N-(p-tolylsulfonyl)anilino]acetatemethylN-(3,4-dimethoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
데이터베이스 식별자
- CAS
359027-98-8
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 90.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 532.9 · 532.9±60.0 °C(Predicted)
- 밀도
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.27 · -3.27±0.50(Predicted)
화학 및 산업
공급사4 곳
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