Ethyl [3-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-4-hydroxy-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate
기본 정보
- 표준 SMILES
CCOC(=O)CC1(O)CCCCc2nc(C(C)(C)C)n(Cc3ccc(Cl)cc3)c21- InChIKey
SCJSYNREOPDPGZ-UHFFFAOYSA-N- 분자식
- C23H31ClN2O3
- 평균 분자량
- 419 g/mol
이름 및 식별자
- 우선 이름
- Ethyl [3-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-4-hydroxy-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate
- IUPAC
- ethyl 2-[2-tert-butyl-3-[(4-chlorophenyl)methyl]-4-hydroxy-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-yl]acetate
이름 및 동의어
SCHEMBL12199284SCJSYNREOPDPGZ-UHFFFAOYSA-NEthyl [3-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-4-hydroxy-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetateEthyl[3-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-4-hydroxy-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate
데이터베이스 식별자
- PubChem CID
- 58460200
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 64.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 559
관련 반응
4건
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