기본 정보
- CAS
488822-63-5- 표준 SMILES
CCC1CCc2c(sc(NC(=O)C3C4C=CC(C4)C3C(=O)O)c2C(=O)OC)C1- InChIKey
XXEHSBZPOHEQAK-UHFFFAOYSA-N- 분자식
- C21H25NO5S
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.14534407
이름 및 식별자
- 우선 이름
- 2-[(6-Ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
- IUPAC
- 3-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- 영어명
- 3-({[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
- 분자식
- C21H25NO5S
- 분자량
- 403.4919
이름 및 동의어
488822-63-52-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid3-{[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid3-({[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acidbenzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-5-en-2-yl)carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-, 3-methyl ester3-([[6-ETHYL-3-(METHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACIDAK-968/15252244ALBB-035882STK420753AKOS003287341AKOS022164995H48746
이름 더 보기
SR-01000257770SR-01000257770-13-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
데이터베이스 식별자
- CAS
488822-63-5- PubChem CID
- 2933361
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 694
화학 및 산업
공급사1 곳
SPECS[email protected]
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