기본 정보
- CAS
371930-57-3- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC(C)(C)OC2- InChIKey
DXLQEGZBDUQZGB-UHFFFAOYSA-N- 분자식
- C20H23NO4S
- 평균 분자량
- 373.5 g/mol
- 단동위원소 질량
- 373.13477939
이름 및 식별자
- 우선 이름
- ethyl 5,5-dimethyl-2-[(2-methylbenzoyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
- IUPAC
- ethyl 5,5-dimethyl-2-[(2-methylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
- 영어명
- ETHYL 5,5-DIMETHYL-2-[(2-METHYLBENZOYL)AMINO]-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLATE
- 분자식
- C20H23NO4S
- 분자량
- 373.47
이름 및 동의어
371930-57-3ethyl 5,5-dimethyl-2-[(2-methylbenzoyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylateethyl 5,5-dimethyl-2-(2-methylbenzamido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylateMLS000533779CBMicro_044048ethyl 5,5-dimethyl-2-[(2-methylbenzoyl)amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylateOprea1_188985CHEMBL1410970HMS2304K10STK831180AKOS001996621CCG-274627
이름 더 보기
TOSLAB 8603625H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-5,5-dimethyl-2-[(2-methylbenzoyl)amino]-, ethyl ester
SMR000141217BIM-0043944.P001AN-038/13746003SR-01000226649SR-01000226649-1ethyl 5,5-dimethyl-2-(2-methylbenzamido)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylateethyl 5,5-dimethyl-2-{[(2-methylphenyl)carbonyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 92.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 538
물리화학적 성질
- 끓는 점
- 479.3 · 479.3±45.0 °C(Predicted)
- 밀도
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.53 · 12.53±0.40(Predicted)
화학 및 산업
공급사3 곳
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