1-[N-[2-(3-carbamoyl-4-hydroxy-phenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)ethyl]-phenoxy]-2-propanol

HCID 20151321

기본 정보

표준 SMILES
NC(=O)c1cc(OCCN(Cc2ccccc2)CC(O)COc2ccc(CCOCC3CC3)cc2)ccc1O
InChIKey
GWENZQAOKPUSEW-UHFFFAOYSA-N
분자식
C31H38N2O6
평균 분자량
534.6 g/mol

이름 및 식별자

우선 이름
1-[N-[2-(3-carbamoyl-4-hydroxy-phenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)ethyl]-phenoxy]-2-propanol
IUPAC
5-[2-[benzyl-[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]amino]ethoxy]-2-hydroxybenzamide

이름 및 동의어

SCHEMBL10716386GWENZQAOKPUSEW-UHFFFAOYSA-N1-[N-[2-(3-carbamoyl-4-hydroxy-phenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy]-2-propanol1-[N-[2-(3-carbamoyl-4-hydroxy-phenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)ethyl]-phenoxy]-2-propanol1-[N-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy]-2-propanol1-[N-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethyl]-benzylamino]-3-[4-[2-(cyclopropylmethoxy)ethyl]-phenoxy]-2-propanol

데이터베이스 식별자

PubChem CID
20151321

물성

구조 계산 물성

XLogP
4.4
극성 표면적
114 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
17
무거운 원자 수
39

관련 반응

7건

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