기본 정보
- CAS
20159-49-3- 표준 SMILES
CCOC(=O)C(C#N)=C1C=C(C=C2Sc3ccccc3N2CC)CC(C)(C)C1- InChIKey
FWKSBASWZNIWFR-UHFFFAOYSA-N- 분자식
- C23H26N2O2S
- 평균 분자량
- 394.5 g/mol
- 단동위원소 질량
- 394.17149925
이름 및 식별자
- 우선 이름
- Ethyl 2-cyano-2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetate
- IUPAC
- ethyl 2-cyano-2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetate
- 현지명
- 2-CYCLOHEXENE-D1,A-아세트산,A-CYANO-3-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5,5-DIMETHYL-,ETHYLESTER
- 영어명
- 2-CYCLOHEXENE-D1,A-ACETIC ACID, A-CYANO-3-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5,5-DIMETHYL-, ETHYL ESTER
- 분자식
- C23H26N2O2S
- 분자량
- 394.53
이름 및 동의어
2-CYCLOHEXENE-D1,A-아세트산,A-CYANO-3-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5,5-DIMETHYL-,ETHYLESTERethyl 2-cyano-2-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]acetate2-CYCLOHEXENE-D1,A-ACETIC ACID, A-CYANO-3-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5,5-DIMETHYL-, ETHYL ESTERETHYL 2-CYANO-2-(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)ACETATEACETIC ACID, CYANO[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE]-, ETHYL ESTERAcetic acid, 2-cyano-2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-, ethyl ester
데이터베이스 식별자
- CAS
20159-49-3- PubChem CID
- 85436484
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 78.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 769
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