기본 정보
- 표준 SMILES
CCOC(=O)C1CCc2c(sc3ncnc(Cl)c23)C1- InChIKey
YFZWICASFZMXGG-UHFFFAOYSA-N- 분자식
- C13H13ClN2O2S
- 평균 분자량
- 296.77 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylate
- IUPAC
- ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
이름 및 동의어
835632-31-0ethyl 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylateMFCD30294664ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate4-CHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE-7-CARBOXYLIC ACID ETHYL ESTERethyl 3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0(2),?]trideca-1(9),2,4,6-tetraene-11-carboxylateSCHEMBL5629554SCHEMBL15933742YFZWICASFZMXGG-UHFFFAOYSA-NWS-01446CS-0455991E74061
이름 더 보기
F776203(RS)-ethyl 4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-7-carboxylateethyl 4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-7-carboxylateethyl 4-chloro-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-7-carboxylate[1]Benzothieno[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5,6,7,8-tetrahydro-, ethyl ester4-CHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE-7-CARBOXYLICACIDETHYLESTER4-chloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid ethyl esterethyl 3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0(2),]trideca-1(9),2,4,6-tetraene-11-carboxylate
데이터베이스 식별자
- PubChem CID
- 17990004
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 80.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 358
관련 반응
3건
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